N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide

C13H22N4O — CID 114708453

IUPACN-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESCNC(C)(C)c1cncn1CCNC(=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,14-3)11-8-15-9-17(11)7-6-16-12(18)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyFCTNMXBXNQUHTM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.86
Rot. Bonds6

About N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 114708453) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID114708453
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESCNC(C)(C)c1cncn1CCNC(=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,14-3)11-8-15-9-17(11)7-6-16-12(18)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyFCTNMXBXNQUHTM-UHFFFAOYSA-N
XLogP0.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide (CID 114708453) is N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide is CNC(C)(C)c1cncn1CCNC(=O)C1CC1.
What is the InChIKey of N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is FCTNMXBXNQUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,14-3)11-8-15-9-17(11)7-6-16-12(18)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 114708453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).