2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine

C12H19N3 — CID 102969862

IUPAC2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
SMILESC#CCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C12H19N3/c1-5-6-10(4)15-8-14-7-11(15)12(13)9(2)3/h1,7-10,12H,6,13H2,2-4H3
InChIKeyZFQYCIZXKOEXRL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine

2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine (PubChem CID 102969862) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
PubChem CID102969862
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
SMILESC#CCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C12H19N3/c1-5-6-10(4)15-8-14-7-11(15)12(13)9(2)3/h1,7-10,12H,6,13H2,2-4H3
InChIKeyZFQYCIZXKOEXRL-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
CID 114708442
tert-butyl N-[(1R)-1-(3-pent-4-yn-2-ylimidazol-4-yl)ethyl]carbamate
CID 114986356
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
methyl 2-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanoate
CID 102969607
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine (CID 102969862) is 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine is C#CCC(C)n1cncc1C(N)C(C)C.
What is the InChIKey of 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine?
The InChIKey is ZFQYCIZXKOEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-10(4)15-8-14-7-11(15)12(13)9(2)3/h1,7-10,12H,6,13H2,2-4H3.
What are the key properties of 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine?
2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 102969862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).