3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline

C18H28N2 — CID 106657376

IUPAC3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCCC1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H28N2/c1-4-13-19-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)20(2)3/h8-9,11-12,14,18-19H,4-7,10,13H2,1-3H3
InChIKeyUBZMEAVQIRHHJG-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.29
Rot. Bonds6

About 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline

3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 106657376) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
PubChem CID106657376
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCCC1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H28N2/c1-4-13-19-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)20(2)3/h8-9,11-12,14,18-19H,4-7,10,13H2,1-3H3
InChIKeyUBZMEAVQIRHHJG-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63506625
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
N-[(3-chloro-4-iodophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 103220292
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 81471927
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline (CID 106657376) is 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline is CCCNC(C1=CCCCC1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is UBZMEAVQIRHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-13-19-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)20(2)3/h8-9,11-12,14,18-19H,4-7,10,13H2,1-3H3.
What are the key properties of 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline?
3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 106657376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).