5-methylidene-1-(4-methylphenyl)heptan-3-amine

C15H23N — CID 105164109

IUPAC5-methylidene-1-(4-methylphenyl)heptan-3-amine
SMILESC=C(CC)CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C15H23N/c1-4-12(2)11-15(16)10-9-14-7-5-13(3)6-8-14/h5-8,15H,2,4,9-11,16H2,1,3H3
InChIKeyPGOBXJHETKMGKY-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.61
Rot. Bonds6

About 5-methylidene-1-(4-methylphenyl)heptan-3-amine

5-methylidene-1-(4-methylphenyl)heptan-3-amine (PubChem CID 105164109) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-methylidene-1-(4-methylphenyl)heptan-3-amine.

Molecular Properties

Compound Name5-methylidene-1-(4-methylphenyl)heptan-3-amine
PubChem CID105164109
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-methylidene-1-(4-methylphenyl)heptan-3-amine
SMILESC=C(CC)CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C15H23N/c1-4-12(2)11-15(16)10-9-14-7-5-13(3)6-8-14/h5-8,15H,2,4,9-11,16H2,1,3H3
InChIKeyPGOBXJHETKMGKY-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.61
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

(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749
1-(4-methylphenyl)decan-3-amine
CID 105125085
1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
CID 66036849
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
CID 105163477
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-amino-3-(4-methylphenyl)propane-1-sulfonic acid
CID 175464226
[2-methyl-5-(4-methylphenyl)pent-1-en-3-yl]hydrazine
CID 105319999
5-methylidene-1-(4-methylphenyl)heptan-3-one
CID 105113317

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(4-methylphenyl)heptan-3-amine?
The IUPAC name of 5-methylidene-1-(4-methylphenyl)heptan-3-amine (CID 105164109) is 5-methylidene-1-(4-methylphenyl)heptan-3-amine.
What is the SMILES notation for 5-methylidene-1-(4-methylphenyl)heptan-3-amine?
The canonical SMILES for 5-methylidene-1-(4-methylphenyl)heptan-3-amine is C=C(CC)CC(N)CCc1ccc(C)cc1.
What is the InChIKey of 5-methylidene-1-(4-methylphenyl)heptan-3-amine?
The InChIKey is PGOBXJHETKMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12(2)11-15(16)10-9-14-7-5-13(3)6-8-14/h5-8,15H,2,4,9-11,16H2,1,3H3.
What are the key properties of 5-methylidene-1-(4-methylphenyl)heptan-3-amine?
5-methylidene-1-(4-methylphenyl)heptan-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(4-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).