5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C18H29N — CID 79607637

IUPAC5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCc1ccc(CC(C)=CCCNCC(C)C)cc1
InChIInChI=1S/C18H29N/c1-5-17-8-10-18(11-9-17)13-16(4)7-6-12-19-14-15(2)3/h7-11,15,19H,5-6,12-14H2,1-4H3
InChIKeyCHKHDDJDHUSEDP-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.37
Rot. Bonds8

About 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607637) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607637
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCc1ccc(CC(C)=CCCNCC(C)C)cc1
InChIInChI=1S/C18H29N/c1-5-17-8-10-18(11-9-17)13-16(4)7-6-12-19-14-15(2)3/h7-11,15,19H,5-6,12-14H2,1-4H3
InChIKeyCHKHDDJDHUSEDP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.37
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

5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
CID 79603113
3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine
CID 79606813
6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
CID 82935709
5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606980
4-methyl-N-(2-methylpropyl)-5-propan-2-yloxypent-3-en-1-amine
CID 79607218
5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79609362
4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79609349
4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79598098
5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598967

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607637) is 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CCc1ccc(CC(C)=CCCNCC(C)C)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is CHKHDDJDHUSEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-17-8-10-18(11-9-17)13-16(4)7-6-12-19-14-15(2)3/h7-11,15,19H,5-6,12-14H2,1-4H3.
What are the key properties of 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).