1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine

C12H21N3 — CID 82902041

IUPAC1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cncn1C
InChIInChI=1S/C12H21N3/c1-4-6-7-11(14-8-5-2)12-9-13-10-15(12)3/h4,9-11,14H,1,5-8H2,2-3H3
InChIKeyHULYWZYWCNQOSX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.43
Rot. Bonds7

About 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine

1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine (PubChem CID 82902041) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
PubChem CID82902041
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cncn1C
InChIInChI=1S/C12H21N3/c1-4-6-7-11(14-8-5-2)12-9-13-10-15(12)3/h4,9-11,14H,1,5-8H2,2-3H3
InChIKeyHULYWZYWCNQOSX-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 82923031
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
1-(3-methylimidazol-4-yl)-N-prop-2-enylethane-1,2-diamine
CID 66118161
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
CID 114878598
N-[2,2-difluoro-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 80605539
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82902334
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206
1-(3-methylimidazol-4-yl)oct-7-en-1-ol
CID 107008689

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine (CID 82902041) is 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine?
The InChIKey is HULYWZYWCNQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-7-11(14-8-5-2)12-9-13-10-15(12)3/h4,9-11,14H,1,5-8H2,2-3H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine?
1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 82902041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).