N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

C12H22N4 — CID 115618903

IUPACN'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCc1ncc[nH]1)C1CC1
InChIInChI=1S/C12H22N4/c1-10(2)16(11-3-4-11)8-7-13-9-12-14-5-6-15-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyYHXLLXYMKJGJDU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.37
Rot. Bonds7

About N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115618903) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115618903
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCc1ncc[nH]1)C1CC1
InChIInChI=1S/C12H22N4/c1-10(2)16(11-3-4-11)8-7-13-9-12-14-5-6-15-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyYHXLLXYMKJGJDU-UHFFFAOYSA-N
XLogP1.37
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
1H-Imidazole, 2-undecyl-
CID 85582
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
2-butyl-1H-imidazole
CID 11815351
2-Nonyl-1H-imidazole
CID 22998707
2-(2-Methylpropyl)-1H-imidazole
CID 109093
2-tert-butyl-1H-imidazole
CID 498442
2-aminomethyl-1H-imidazole
CID 1382041
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
2-cyclopropyl-1H-imidazole
CID 17942383

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (CID 115618903) is N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCNCc1ncc[nH]1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YHXLLXYMKJGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16(11-3-4-11)8-7-13-9-12-14-5-6-15-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,14,15).
What are the key properties of N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115618903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).