1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine

C11H20N4 — CID 107972022

IUPAC1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(CNC1CC1)NCc1cn(C)cn1
InChIInChI=1S/C11H20N4/c1-9(5-13-10-3-4-10)12-6-11-7-15(2)8-14-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyARFKHQQSGJAYEJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.65
Rot. Bonds6

About 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine

1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 107972022) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine
PubChem CID107972022
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(CNC1CC1)NCc1cn(C)cn1
InChIInChI=1S/C11H20N4/c1-9(5-13-10-3-4-10)12-6-11-7-15(2)8-14-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyARFKHQQSGJAYEJ-UHFFFAOYSA-N
XLogP0.65
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107971995
(2S)-N-chloro-1-(1-methylimidazol-4-yl)propan-2-amine
CID 88999055
2-N-[(3-bromo-2-fluorophenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine
CID 114019822
1,1-dimethyl-2-[(1-methylimidazol-4-yl)methyl]hydrazine
CID 130598738
N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204550
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703507
ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
CID 176932121
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204681

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine (CID 107972022) is 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine is CC(CNC1CC1)NCc1cn(C)cn1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is ARFKHQQSGJAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(5-13-10-3-4-10)12-6-11-7-15(2)8-14-11/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine?
1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 107972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).