4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

C13H26N2 — CID 15660

IUPAC4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
InChIKeyDZIHTWJGPDVSGE-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds2

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 15660) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
PubChem CID15660
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
InChIKeyDZIHTWJGPDVSGE-UHFFFAOYSA-N
XLogP2.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
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]cyclohexan-1-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (CID 15660) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is NC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is DZIHTWJGPDVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 15660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).