4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine

C14H28N2 — CID 54348885

IUPAC4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
SMILESNCC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H28N2/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h11-14H,1-10,15-16H2
InChIKeyUEGRSZZZSDXEGZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds3

About 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 54348885) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID54348885
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
SMILESNCC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H28N2/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h11-14H,1-10,15-16H2
InChIKeyUEGRSZZZSDXEGZ-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine (CID 54348885) is 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine is NCC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is UEGRSZZZSDXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h11-14H,1-10,15-16H2.
What are the key properties of 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 54348885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).