4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

C19H38N2 — CID 63483791

IUPAC4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)C1CCCCC1
InChIInChI=1S/C19H38N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h15-18,20H,6-14H2,1-5H3
InChIKeyRBOSDMMGABQQGS-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

About 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 63483791) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
PubChem CID63483791
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)C1CCCCC1
InChIInChI=1S/C19H38N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h15-18,20H,6-14H2,1-5H3
InChIKeyRBOSDMMGABQQGS-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
1-dodecyl-N-ethyladamantan-2-amine
CID 44457362
1-decyl-N-ethyladamantan-2-amine
CID 44457364
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine;hydrochloride
CID 90674839
N'-[3-[1,5-bis(4-propan-2-ylcyclohexyl)pentan-3-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674843
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
Cambridge id 5418134
CID 782244
N-ethyl-1-hexyladamantan-2-amine
CID 44457374
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
Cambridge id 5466078
CID 784637
N',N'-bis(5-methyl-2-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 68621968

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (CID 63483791) is 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1CN(C)C1CCCCC1.
What is the InChIKey of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is RBOSDMMGABQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-19(2,3)16-11-12-18(20-4)15(13-16)14-21(5)17-9-7-6-8-10-17/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63483791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).