1-cycloheptyl-4-cyclohexylbutan-2-amine

C17H33N — CID 114193048

IUPAC1-cycloheptyl-4-cyclohexylbutan-2-amine
SMILESNC(CCC1CCCCC1)CC1CCCCCC1
InChIInChI=1S/C17H33N/c18-17(13-12-15-8-6-3-7-9-15)14-16-10-4-1-2-5-11-16/h15-17H,1-14,18H2
InChIKeyAZYBRPWWOOIDKL-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.03
Rot. Bonds5

About 1-cycloheptyl-4-cyclohexylbutan-2-amine

1-cycloheptyl-4-cyclohexylbutan-2-amine (PubChem CID 114193048) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclohexylbutan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclohexylbutan-2-amine
PubChem CID114193048
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-cycloheptyl-4-cyclohexylbutan-2-amine
SMILESNC(CCC1CCCCC1)CC1CCCCCC1
InChIInChI=1S/C17H33N/c18-17(13-12-15-8-6-3-7-9-15)14-16-10-4-1-2-5-11-16/h15-17H,1-14,18H2
InChIKeyAZYBRPWWOOIDKL-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-4-cyclohexylbutan-1-ol
CID 11447105
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclohexylhexan-3-amine
CID 43370456
3-cyclohexyl-1-cyclopropylpropan-1-amine
CID 63355132
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
4-amino-5-cyclohexylpentan-1-ol
CID 82406010
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclohexylbutan-2-amine?
The IUPAC name of 1-cycloheptyl-4-cyclohexylbutan-2-amine (CID 114193048) is 1-cycloheptyl-4-cyclohexylbutan-2-amine.
What is the SMILES notation for 1-cycloheptyl-4-cyclohexylbutan-2-amine?
The canonical SMILES for 1-cycloheptyl-4-cyclohexylbutan-2-amine is NC(CCC1CCCCC1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-cyclohexylbutan-2-amine?
The InChIKey is AZYBRPWWOOIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c18-17(13-12-15-8-6-3-7-9-15)14-16-10-4-1-2-5-11-16/h15-17H,1-14,18H2.
What are the key properties of 1-cycloheptyl-4-cyclohexylbutan-2-amine?
1-cycloheptyl-4-cyclohexylbutan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclohexylbutan-2-amine is sourced from PubChem (CID 114193048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).