1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H32N2 — CID 61212107

IUPAC1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC2CCCCC2)(N(C)C)C1
InChIInChI=1S/C16H32N2/c1-14-8-7-11-16(12-14,18(2)3)13-17-15-9-5-4-6-10-15/h14-15,17H,4-13H2,1-3H3
InChIKeyLGZLOQGYPNJPLV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 61212107) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID61212107
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC2CCCCC2)(N(C)C)C1
InChIInChI=1S/C16H32N2/c1-14-8-7-11-16(12-14,18(2)3)13-17-15-9-5-4-6-10-15/h14-15,17H,4-13H2,1-3H3
InChIKeyLGZLOQGYPNJPLV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 61212107) is 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNC2CCCCC2)(N(C)C)C1.
What is the InChIKey of 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is LGZLOQGYPNJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-8-7-11-16(12-14,18(2)3)13-17-15-9-5-4-6-10-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61212107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).