N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine

C11H19N3 — CID 66116304

IUPACN-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cncn1C
InChIInChI=1S/C11H19N3/c1-8(2)13-5-9-4-10(9)11-6-12-7-14(11)3/h6-10,13H,4-5H2,1-3H3
InChIKeyFISKHWXLKNPCSW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.52
Rot. Bonds4

About N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine

N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine (PubChem CID 66116304) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
PubChem CID66116304
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cncn1C
InChIInChI=1S/C11H19N3/c1-8(2)13-5-9-4-10(9)11-6-12-7-14(11)3/h6-10,13H,4-5H2,1-3H3
InChIKeyFISKHWXLKNPCSW-UHFFFAOYSA-N
XLogP1.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine (CID 66116304) is N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1c1cncn1C.
What is the InChIKey of N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is FISKHWXLKNPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)13-5-9-4-10(9)11-6-12-7-14(11)3/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66116304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).