1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine

C19H37N3 — CID 23325849

IUPAC1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1(C(C2(N)CCCCC2)C2(N)CCCCC2)CCCCC1
InChIInChI=1S/C19H37N3/c20-17(10-4-1-5-11-17)16(18(21)12-6-2-7-13-18)19(22)14-8-3-9-15-19/h16H,1-15,20-22H2
InChIKeyATUGSVASGVDJPC-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.59
Rot. Bonds3

About 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine

1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 23325849) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine
PubChem CID23325849
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1(C(C2(N)CCCCC2)C2(N)CCCCC2)CCCCC1
InChIInChI=1S/C19H37N3/c20-17(10-4-1-5-11-17)16(18(21)12-6-2-7-13-18)19(22)14-8-3-9-15-19/h16H,1-15,20-22H2
InChIKeyATUGSVASGVDJPC-UHFFFAOYSA-N
XLogP3.59
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine (CID 23325849) is 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine is NC1(C(C2(N)CCCCC2)C2(N)CCCCC2)CCCCC1.
What is the InChIKey of 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is ATUGSVASGVDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c20-17(10-4-1-5-11-17)16(18(21)12-6-2-7-13-18)19(22)14-8-3-9-15-19/h16H,1-15,20-22H2.
What are the key properties of 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 307.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-aminocyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 23325849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).