4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine

C19H38N2 — CID 19842580

IUPAC4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CC(CC2CCC(N)CC2)CC(C(C)C)C1N
InChIInChI=1S/C19H38N2/c1-12(2)17-10-15(11-18(13(3)4)19(17)21)9-14-5-7-16(20)8-6-14/h12-19H,5-11,20-21H2,1-4H3
InChIKeySABNEKXFFVMXTI-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.18
Rot. Bonds4

About 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine

4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 19842580) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine
PubChem CID19842580
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CC(CC2CCC(N)CC2)CC(C(C)C)C1N
InChIInChI=1S/C19H38N2/c1-12(2)17-10-15(11-18(13(3)4)19(17)21)9-14-5-7-16(20)8-6-14/h12-19H,5-11,20-21H2,1-4H3
InChIKeySABNEKXFFVMXTI-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine (CID 19842580) is 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine is CC(C)C1CC(CC2CCC(N)CC2)CC(C(C)C)C1N.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is SABNEKXFFVMXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-12(2)17-10-15(11-18(13(3)4)19(17)21)9-14-5-7-16(20)8-6-14/h12-19H,5-11,20-21H2,1-4H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 19842580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).