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

C13H27FN2 — CID 70522175

IUPAC4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
SMILESF.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2.FH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h10-13H,1-9,14-15H2;1H
InChIKeySIQJMLZPMRISMH-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.56
Rot. Bonds2

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

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride (PubChem CID 70522175) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
PubChem CID70522175
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
SMILESF.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2.FH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h10-13H,1-9,14-15H2;1H
InChIKeySIQJMLZPMRISMH-UHFFFAOYSA-N
XLogP2.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.56
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;hydrofluoride?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride (CID 70522175) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride is F.NC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride?
The InChIKey is SIQJMLZPMRISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.FH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h10-13H,1-9,14-15H2;1H.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride?
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride has a molecular weight of 230.37 g/mol, XLogP of 2.56, 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;hydrofluoride is sourced from PubChem (CID 70522175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).