1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine

C9H18N4 — CID 62761952

IUPAC1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1cnc[nH]1)N(C)C
InChIInChI=1S/C9H18N4/c1-8(13(2)3)4-10-5-9-6-11-7-12-9/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyUYOCOIAKDFGVBE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.45
Rot. Bonds5

About 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine

1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62761952) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62761952
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1cnc[nH]1)N(C)C
InChIInChI=1S/C9H18N4/c1-8(13(2)3)4-10-5-9-6-11-7-12-9/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyUYOCOIAKDFGVBE-UHFFFAOYSA-N
XLogP0.45
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
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N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
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1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 103110027
1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
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3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
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1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
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2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 62761952) is 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1cnc[nH]1)N(C)C.
What is the InChIKey of 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is UYOCOIAKDFGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(13(2)3)4-10-5-9-6-11-7-12-9/h6-8,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62761952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).