N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine

C10H18N4 — CID 62132212

IUPACN-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
SMILESCn1ccnc1NCCCNC1CC1
InChIInChI=1S/C10H18N4/c1-14-8-7-13-10(14)12-6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyVVYQRAHNTBTFCT-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds6

About N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine

N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine (PubChem CID 62132212) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
PubChem CID62132212
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
SMILESCn1ccnc1NCCCNC1CC1
InChIInChI=1S/C10H18N4/c1-14-8-7-13-10(14)12-6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyVVYQRAHNTBTFCT-UHFFFAOYSA-N
XLogP0.97
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
CID 63871029
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine (CID 62132212) is N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine is Cn1ccnc1NCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
The InChIKey is VVYQRAHNTBTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-8-7-13-10(14)12-6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine?
N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62132212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).