1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine

C17H25N — CID 106657002

IUPAC1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=CCCCCC2)cc1
InChIInChI=1S/C17H25N/c1-14-8-10-15(11-9-14)12-13-17(18)16-6-4-2-3-5-7-16/h6,8-11,17H,2-5,7,12-13,18H2,1H3
InChIKeyRNTITEXQCHWOBG-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.15
Rot. Bonds4

About 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine

1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 106657002) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID106657002
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=CCCCCC2)cc1
InChIInChI=1S/C17H25N/c1-14-8-10-15(11-9-14)12-13-17(18)16-6-4-2-3-5-7-16/h6,8-11,17H,2-5,7,12-13,18H2,1H3
InChIKeyRNTITEXQCHWOBG-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.15
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

[1-(cyclohepten-1-yl)-3-(4-methylphenyl)propyl]hydrazine
CID 106650193
1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 105179419
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 102653299
ethyl (3S)-2-cyano-3-(cyclohexen-1-yl)-5-(4-methylphenyl)pentanoate
CID 154708974

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine (CID 106657002) is 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CCC(N)C2=CCCCCC2)cc1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is RNTITEXQCHWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14-8-10-15(11-9-14)12-13-17(18)16-6-4-2-3-5-7-16/h6,8-11,17H,2-5,7,12-13,18H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine?
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 106657002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).