4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine

C19H25N — CID 79598478

IUPAC4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H25N/c1-3-13-20-14-7-8-16(2)15-18-11-6-10-17-9-4-5-12-19(17)18/h4-6,8-12,20H,3,7,13-15H2,1-2H3
InChIKeyRVTSBMNRWGBOKK-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.72
Rot. Bonds7

About 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine

4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine (PubChem CID 79598478) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
PubChem CID79598478
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H25N/c1-3-13-20-14-7-8-16(2)15-18-11-6-10-17-9-4-5-12-19(17)18/h4-6,8-12,20H,3,7,13-15H2,1-2H3
InChIKeyRVTSBMNRWGBOKK-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
5-methyl-6-naphthalen-1-ylhex-4-en-2-one
CID 90716108
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79609369
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
CID 79599107
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine?
The IUPAC name of 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine (CID 79598478) is 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1cccc2ccccc12.
What is the InChIKey of 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine?
The InChIKey is RVTSBMNRWGBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-13-20-14-7-8-16(2)15-18-11-6-10-17-9-4-5-12-19(17)18/h4-6,8-12,20H,3,7,13-15H2,1-2H3.
What are the key properties of 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine?
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).