N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane

C86H182N6 — CID 165046591

IUPACN-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
SMILESCC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(NC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/2C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)12-11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3
InChIKeyOZTDMCBREHAYBY-UHFFFAOYSA-N
MW1300.44 g/mol
LogP25.35
Rot. Bonds4

About N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane

N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane (PubChem CID 165046591) has the molecular formula C86H182N6 and a molecular weight of 1300.44 g/mol. Its IUPAC name is N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane.

Molecular Properties

Compound NameN-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
PubChem CID165046591
Molecular FormulaC86H182N6
Molecular Weight1300.44 g/mol
Exact Mass1299.44
IUPAC NameN-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
SMILESCC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(NC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/2C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)12-11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3
InChIKeyOZTDMCBREHAYBY-UHFFFAOYSA-N
XLogP25.35
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.44
LogP ≤ 525.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The IUPAC name of N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane (CID 165046591) is N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane.
What is the SMILES notation for N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The canonical SMILES for N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane is CC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(NC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The InChIKey is OZTDMCBREHAYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)12-11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3.
What are the key properties of N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane has a molecular weight of 1300.44 g/mol, XLogP of 25.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylcyclohexan-1-amine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane is sourced from PubChem (CID 165046591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).