4-cyclohexyl-3-methyl-N-propylbutan-1-amine

C14H29N — CID 81019280

IUPAC4-cyclohexyl-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)CC1CCCCC1
InChIInChI=1S/C14H29N/c1-3-10-15-11-9-13(2)12-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyVZVQIOMOHZYKCV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds7

About 4-cyclohexyl-3-methyl-N-propylbutan-1-amine

4-cyclohexyl-3-methyl-N-propylbutan-1-amine (PubChem CID 81019280) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-cyclohexyl-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-cyclohexyl-3-methyl-N-propylbutan-1-amine
PubChem CID81019280
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-cyclohexyl-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)CC1CCCCC1
InChIInChI=1S/C14H29N/c1-3-10-15-11-9-13(2)12-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyVZVQIOMOHZYKCV-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
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

4-cyclopentyl-N-ethyl-3-methylbutan-1-amine
CID 81019020
4-cyclopentyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019294
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
2-cycloheptyl-4-(propylamino)butan-1-ol
CID 165467756
azane;2-methylbutylcyclohexane
CID 143986613
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
2-methylhex-5-enylcyclohexane
CID 142828676

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-cyclohexyl-3-methyl-N-propylbutan-1-amine (CID 81019280) is 4-cyclohexyl-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-cyclohexyl-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-cyclohexyl-3-methyl-N-propylbutan-1-amine is CCCNCCC(C)CC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-methyl-N-propylbutan-1-amine?
The InChIKey is VZVQIOMOHZYKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-10-15-11-9-13(2)12-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-cyclohexyl-3-methyl-N-propylbutan-1-amine?
4-cyclohexyl-3-methyl-N-propylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 81019280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).