6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine

C18H29N — CID 105182618

IUPAC6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
SMILESC=C(C)CCC(CCc1ccc(C)cc1)NCCC
InChIInChI=1S/C18H29N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,18-19H,2,5-6,11-14H2,1,3-4H3
InChIKeyPHFCIDUNLSRQTK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.65
Rot. Bonds9

About 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine

6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine (PubChem CID 105182618) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
PubChem CID105182618
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
SMILESC=C(C)CCC(CCc1ccc(C)cc1)NCCC
InChIInChI=1S/C18H29N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,18-19H,2,5-6,11-14H2,1,3-4H3
InChIKeyPHFCIDUNLSRQTK-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.65
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-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene
CID 570778
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474365
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
CID 105163729
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine (CID 105182618) is 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine is C=C(C)CCC(CCc1ccc(C)cc1)NCCC.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine?
The InChIKey is PHFCIDUNLSRQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,18-19H,2,5-6,11-14H2,1,3-4H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine?
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine has a molecular weight of 259.44 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine is sourced from PubChem (CID 105182618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).