1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine

C15H32N2 — CID 115326044

IUPAC1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine
SMILESCC(C)CCCCNCCC1(N)CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)8-4-7-12-17-13-11-15(16)9-5-3-6-10-15/h14,17H,3-13,16H2,1-2H3
InChIKeyKZESBQVJZSEAHF-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.45
Rot. Bonds8

About 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine

1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine (PubChem CID 115326044) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine
PubChem CID115326044
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine
SMILESCC(C)CCCCNCCC1(N)CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)8-4-7-12-17-13-11-15(16)9-5-3-6-10-15/h14,17H,3-13,16H2,1-2H3
InChIKeyKZESBQVJZSEAHF-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.45
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

1-[2-(butylamino)ethyl]cyclopentan-1-amine
CID 64679501
1-(5-methylhexyl)cyclopropan-1-amine
CID 83905195
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2-(1-aminocyclopentyl)-N-(5-methylhexyl)acetamide
CID 113287459
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
2-(1-aminocyclopentyl)-N-(7-methyloctyl)acetamide
CID 64677183
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
CID 64677307
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
1-[2-(butan-2-ylamino)ethyl]cyclopentan-1-amine
CID 64679317
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine (CID 115326044) is 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine is CC(C)CCCCNCCC1(N)CCCCC1.
What is the InChIKey of 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine?
The InChIKey is KZESBQVJZSEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)8-4-7-12-17-13-11-15(16)9-5-3-6-10-15/h14,17H,3-13,16H2,1-2H3.
What are the key properties of 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine?
1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115326044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).