4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine

C18H21N — CID 146180917

IUPAC4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine
SMILESC=C(C)CC(=C)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N/c1-13(2)11-14(3)19-15(4)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15,19H,1,3,11H2,2,4H3
InChIKeyMJARHXNHFMSKRO-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.97
Rot. Bonds5

About 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine

4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine (PubChem CID 146180917) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine
PubChem CID146180917
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine
SMILESC=C(C)CC(=C)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N/c1-13(2)11-14(3)19-15(4)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15,19H,1,3,11H2,2,4H3
InChIKeyMJARHXNHFMSKRO-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.97
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

3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea
CID 111453999
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine
CID 12014152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine?
The IUPAC name of 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine (CID 146180917) is 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine.
What is the SMILES notation for 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine?
The canonical SMILES for 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine is C=C(C)CC(=C)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine?
The InChIKey is MJARHXNHFMSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)11-14(3)19-15(4)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15,19H,1,3,11H2,2,4H3.
What are the key properties of 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine?
4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine has a molecular weight of 251.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine is sourced from PubChem (CID 146180917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).