heptan-1-amine;4-methylcyclohexan-1-amine

C14H32N2 — CID 157323652

IUPACheptan-1-amine;4-methylcyclohexan-1-amine
SMILESCC1CCC(N)CC1.CCCCCCCN
InChIInChI=1S/C7H15N.C7H17N/c1-6-2-4-7(8)5-3-6;1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3;2-8H2,1H3
InChIKeyBELQSCHPUNSCOM-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.44
Rot. Bonds5

About heptan-1-amine;4-methylcyclohexan-1-amine

heptan-1-amine;4-methylcyclohexan-1-amine (PubChem CID 157323652) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is heptan-1-amine;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameheptan-1-amine;4-methylcyclohexan-1-amine
PubChem CID157323652
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameheptan-1-amine;4-methylcyclohexan-1-amine
SMILESCC1CCC(N)CC1.CCCCCCCN
InChIInChI=1S/C7H15N.C7H17N/c1-6-2-4-7(8)5-3-6;1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3;2-8H2,1H3
InChIKeyBELQSCHPUNSCOM-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4'-Diaminodicyclohexylmethane
CID 15660
4-Methylcyclohexylamine
CID 80604
1,3-Cyclohexanediamine, 4-methyl-
CID 117174
1-Cyclohexylethan-1-amine hydrochloride
CID 214023
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
4-(2-Methylpentyl)cyclohexanamine
CID 99093
3,5-Dimethylcyclohexan-1-amine
CID 14675374
4-Butylcyclohexylamine
CID 425326
(2R)-1-cyclohexylpropan-2-amine
CID 12878584

Frequently Asked Questions

What is the IUPAC name of heptan-1-amine;4-methylcyclohexan-1-amine?
The IUPAC name of heptan-1-amine;4-methylcyclohexan-1-amine (CID 157323652) is heptan-1-amine;4-methylcyclohexan-1-amine.
What is the SMILES notation for heptan-1-amine;4-methylcyclohexan-1-amine?
The canonical SMILES for heptan-1-amine;4-methylcyclohexan-1-amine is CC1CCC(N)CC1.CCCCCCCN.
What is the InChIKey of heptan-1-amine;4-methylcyclohexan-1-amine?
The InChIKey is BELQSCHPUNSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H17N/c1-6-2-4-7(8)5-3-6;1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3;2-8H2,1H3.
What are the key properties of heptan-1-amine;4-methylcyclohexan-1-amine?
heptan-1-amine;4-methylcyclohexan-1-amine has a molecular weight of 228.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-amine;4-methylcyclohexan-1-amine is sourced from PubChem (CID 157323652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).