1-hexyl-3,4-dimethylcyclohexan-1-amine

C14H29N — CID 64733757

IUPAC1-hexyl-3,4-dimethylcyclohexan-1-amine
SMILESCCCCCCC1(N)CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-7-9-14(15)10-8-12(2)13(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyDSSIKYNSEUHZDQ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds5

About 1-hexyl-3,4-dimethylcyclohexan-1-amine

1-hexyl-3,4-dimethylcyclohexan-1-amine (PubChem CID 64733757) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-hexyl-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-hexyl-3,4-dimethylcyclohexan-1-amine
PubChem CID64733757
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-hexyl-3,4-dimethylcyclohexan-1-amine
SMILESCCCCCCC1(N)CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-7-9-14(15)10-8-12(2)13(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyDSSIKYNSEUHZDQ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 64733955
1-decylcyclopropan-1-amine
CID 66023987
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1-pentylcyclopropan-1-amine
CID 66023547
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
1-heptylcycloheptan-1-amine
CID 63407607
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961186
4-heptyloxan-4-amine
CID 63220508
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-hexyl-3,4-dimethylcyclohexan-1-amine (CID 64733757) is 1-hexyl-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-hexyl-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-hexyl-3,4-dimethylcyclohexan-1-amine is CCCCCCC1(N)CCC(C)C(C)C1.
What is the InChIKey of 1-hexyl-3,4-dimethylcyclohexan-1-amine?
The InChIKey is DSSIKYNSEUHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-6-7-9-14(15)10-8-12(2)13(3)11-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-hexyl-3,4-dimethylcyclohexan-1-amine?
1-hexyl-3,4-dimethylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64733757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).