(1-hexyl-3-methylcyclohexyl)methanamine

C14H29N — CID 65394877

IUPAC(1-hexyl-3-methylcyclohexyl)methanamine
SMILESCCCCCCC1(CN)CCCC(C)C1
InChIInChI=1S/C14H29N/c1-3-4-5-6-9-14(12-15)10-7-8-13(2)11-14/h13H,3-12,15H2,1-2H3
InChIKeyILOPPKWYNLBNOT-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds6

About (1-hexyl-3-methylcyclohexyl)methanamine

(1-hexyl-3-methylcyclohexyl)methanamine (PubChem CID 65394877) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (1-hexyl-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-hexyl-3-methylcyclohexyl)methanamine
PubChem CID65394877
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(1-hexyl-3-methylcyclohexyl)methanamine
SMILESCCCCCCC1(CN)CCCC(C)C1
InChIInChI=1S/C14H29N/c1-3-4-5-6-9-14(12-15)10-7-8-13(2)11-14/h13H,3-12,15H2,1-2H3
InChIKeyILOPPKWYNLBNOT-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-pentylcyclopentyl)methanamine
CID 62725889
1,1-diethyl-3-methylcyclohexane
CID 19090157
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
3-(1-hexadecyl-3-methylcyclohexyl)-1H-imidazol-3-ium
CID 175343305
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967

Frequently Asked Questions

What is the IUPAC name of (1-hexyl-3-methylcyclohexyl)methanamine?
The IUPAC name of (1-hexyl-3-methylcyclohexyl)methanamine (CID 65394877) is (1-hexyl-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (1-hexyl-3-methylcyclohexyl)methanamine?
The canonical SMILES for (1-hexyl-3-methylcyclohexyl)methanamine is CCCCCCC1(CN)CCCC(C)C1.
What is the InChIKey of (1-hexyl-3-methylcyclohexyl)methanamine?
The InChIKey is ILOPPKWYNLBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-9-14(12-15)10-7-8-13(2)11-14/h13H,3-12,15H2,1-2H3.
What are the key properties of (1-hexyl-3-methylcyclohexyl)methanamine?
(1-hexyl-3-methylcyclohexyl)methanamine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexyl-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 65394877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).