N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine

C18H33N — CID 129076822

IUPACN-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine
SMILESC=C(C1CCCCCCC1)C(C)NC1CCCCC1
InChIInChI=1S/C18H33N/c1-15(17-11-7-4-3-5-8-12-17)16(2)19-18-13-9-6-10-14-18/h16-19H,1,3-14H2,2H3
InChIKeyLNHQWKKEHKSEMY-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.21
Rot. Bonds4

About N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine

N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine (PubChem CID 129076822) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine
PubChem CID129076822
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine
SMILESC=C(C1CCCCCCC1)C(C)NC1CCCCC1
InChIInChI=1S/C18H33N/c1-15(17-11-7-4-3-5-8-12-17)16(2)19-18-13-9-6-10-14-18/h16-19H,1,3-14H2,2H3
InChIKeyLNHQWKKEHKSEMY-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
N-propan-2-ylcycloheptanamine
CID 42562651
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
1-(cyclopentylamino)ethanol
CID 18784157
N-but-3-en-2-ylcyclopentanamine
CID 115727919

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine?
The IUPAC name of N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine (CID 129076822) is N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine.
What is the SMILES notation for N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine?
The canonical SMILES for N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine is C=C(C1CCCCCCC1)C(C)NC1CCCCC1.
What is the InChIKey of N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine?
The InChIKey is LNHQWKKEHKSEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-15(17-11-7-4-3-5-8-12-17)16(2)19-18-13-9-6-10-14-18/h16-19H,1,3-14H2,2H3.
What are the key properties of N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine?
N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine has a molecular weight of 263.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclooctylbut-3-en-2-yl)cyclohexanamine is sourced from PubChem (CID 129076822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).