4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane

C20H41NO — CID 161496329

IUPAC4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane
SMILESCC(C)C1CCOCC1.CN(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25N.C8H16O/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3
InChIKeyWGGHJKCNPPCPLA-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.22
Rot. Bonds2

About 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane

4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane (PubChem CID 161496329) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane
PubChem CID161496329
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane
SMILESCC(C)C1CCOCC1.CN(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25N.C8H16O/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3
InChIKeyWGGHJKCNPPCPLA-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane?
The IUPAC name of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane (CID 161496329) is 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane?
The canonical SMILES for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane is CC(C)C1CCOCC1.CN(C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane?
The InChIKey is WGGHJKCNPPCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C8H16O/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane?
4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane has a molecular weight of 311.55 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane is sourced from PubChem (CID 161496329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).