cyclohexanamine

C6H13N — CID 7965

IUPACcyclohexanamine
SMILESNC1CCCCC1
InChIInChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKeyPAFZNILMFXTMIY-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.28
Rot. Bonds

About cyclohexanamine

cyclohexanamine (PubChem CID 7965) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is cyclohexanamine.

Molecular Properties

Compound Namecyclohexanamine
PubChem CID7965
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Namecyclohexanamine
SMILESNC1CCCCC1
InChIInChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKeyPAFZNILMFXTMIY-UHFFFAOYSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Diaminocyclohexane
CID 4610
1,2-Diaminocyclohexane, trans-
CID 43806
1,4-Diaminocyclohexane
CID 18374
1,3-Cyclohexanediamine
CID 18814
1,2-Diaminocyclohexane, (+)-
CID 479307
Cyclohexylamine hydrochloride
CID 2723770
Cyclohexylazanium;chloride
CID 21097
2-Hexanamine
CID 21405
Cyclohexylammonium bromide
CID 117303
1,2-Diaminocyclohexane, cis-
CID 342917
1,3-Diaminocyclohexane, cis-
CID 6998900
Cyclohexylammonium Ion
CID 1549093

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine?
The IUPAC name of cyclohexanamine (CID 7965) is cyclohexanamine.
What is the SMILES notation for cyclohexanamine?
The canonical SMILES for cyclohexanamine is NC1CCCCC1.
What is the InChIKey of cyclohexanamine?
The InChIKey is PAFZNILMFXTMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2.
What are the key properties of cyclohexanamine?
cyclohexanamine has a molecular weight of 99.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine is sourced from PubChem (CID 7965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).