4-butyl-1-hexylcyclohexan-1-amine

C16H33N — CID 65020342

IUPAC4-butyl-1-hexylcyclohexan-1-amine
SMILESCCCCCCC1(N)CCC(CCCC)CC1
InChIInChI=1S/C16H33N/c1-3-5-7-8-12-16(17)13-10-15(11-14-16)9-6-4-2/h15H,3-14,17H2,1-2H3
InChIKeyRMLZCYZNVJKWTF-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.03
Rot. Bonds8

About 4-butyl-1-hexylcyclohexan-1-amine

4-butyl-1-hexylcyclohexan-1-amine (PubChem CID 65020342) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-butyl-1-hexylcyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-hexylcyclohexan-1-amine
PubChem CID65020342
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-butyl-1-hexylcyclohexan-1-amine
SMILESCCCCCCC1(N)CCC(CCCC)CC1
InChIInChI=1S/C16H33N/c1-3-5-7-8-12-16(17)13-10-15(11-14-16)9-6-4-2/h15H,3-14,17H2,1-2H3
InChIKeyRMLZCYZNVJKWTF-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.03
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-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
1-decylcyclopropan-1-amine
CID 66023987
1-pentylcyclopropan-1-amine
CID 66023547
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
1-heptylcycloheptan-1-amine
CID 63407607
1-hexyl-3,4-dimethylcyclohexan-1-amine
CID 64733757
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
4-[2-(4-butylcyclohexyl)ethyl]-1-hexylcyclohexane-1-carbonitrile
CID 18596849
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
4-heptyloxan-4-amine
CID 63220508

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-hexylcyclohexan-1-amine?
The IUPAC name of 4-butyl-1-hexylcyclohexan-1-amine (CID 65020342) is 4-butyl-1-hexylcyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-hexylcyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-hexylcyclohexan-1-amine is CCCCCCC1(N)CCC(CCCC)CC1.
What is the InChIKey of 4-butyl-1-hexylcyclohexan-1-amine?
The InChIKey is RMLZCYZNVJKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-7-8-12-16(17)13-10-15(11-14-16)9-6-4-2/h15H,3-14,17H2,1-2H3.
What are the key properties of 4-butyl-1-hexylcyclohexan-1-amine?
4-butyl-1-hexylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-hexylcyclohexan-1-amine is sourced from PubChem (CID 65020342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).