N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine

C17H25N — CID 122155630

IUPACN-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C17H25N/c1-17(2,16-11-7-4-8-12-16)14-18-13-15-9-5-3-6-10-15/h3,5-6,9-11,18H,4,7-8,12-14H2,1-2H3
InChIKeyXEUZEMIHRGGXEL-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.30
Rot. Bonds5

About N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine

N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine (PubChem CID 122155630) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine
PubChem CID122155630
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C17H25N/c1-17(2,16-11-7-4-8-12-16)14-18-13-15-9-5-3-6-10-15/h3,5-6,9-11,18H,4,7-8,12-14H2,1-2H3
InChIKeyXEUZEMIHRGGXEL-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.30
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

N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-benzyl-1-(cyclobuten-1-yl)methanamine
CID 57315844
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
4-[[2-(cyclohexen-1-yl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010471
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
CID 15515052
N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
CID 102481458
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine?
The IUPAC name of N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine (CID 122155630) is N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine is CC(C)(CNCc1ccccc1)C1=CCCCC1.
What is the InChIKey of N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine?
The InChIKey is XEUZEMIHRGGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,16-11-7-4-8-12-16)14-18-13-15-9-5-3-6-10-15/h3,5-6,9-11,18H,4,7-8,12-14H2,1-2H3.
What are the key properties of N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine?
N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexen-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 122155630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).