4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine

C12H21N3 — CID 79599262

IUPAC4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1nccn1C
InChIInChI=1S/C12H21N3/c1-4-7-13-8-5-6-11(2)12-14-9-10-15(12)3/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyNOQAIEJXZKQGOM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds6

About 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine

4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine (PubChem CID 79599262) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
PubChem CID79599262
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1nccn1C
InChIInChI=1S/C12H21N3/c1-4-7-13-8-5-6-11(2)12-14-9-10-15(12)3/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyNOQAIEJXZKQGOM-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79608061
2-[(E)-but-2-en-2-yl]-1-methylimidazole
CID 155007735
1-methyl-N-propylimidazole-2-carboxamide
CID 12006368
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
CID 79598869
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propylpent-3-en-1-amine
CID 106463881
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878
N-ethyl-4-(2-methylpyrazol-3-yl)pent-3-en-1-amine
CID 79597834
5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79598084
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine (CID 79599262) is 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)c1nccn1C.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine?
The InChIKey is NOQAIEJXZKQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-7-13-8-5-6-11(2)12-14-9-10-15(12)3/h6,9-10,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine?
4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79599262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).