N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine

C12H21N3 — CID 66140393

IUPACN-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1cncn1C1CC1
InChIInChI=1S/C12H21N3/c1-10(2)7-13-6-5-12-8-14-9-15(12)11-3-4-11/h8-11,13H,3-7H2,1-2H3
InChIKeyXRJGFUAIYGYMMI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine

N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 66140393) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
PubChem CID66140393
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1cncn1C1CC1
InChIInChI=1S/C12H21N3/c1-10(2)7-13-6-5-12-8-14-9-15(12)11-3-4-11/h8-11,13H,3-7H2,1-2H3
InChIKeyXRJGFUAIYGYMMI-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine (CID 66140393) is N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCc1cncn1C1CC1.
What is the InChIKey of N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is XRJGFUAIYGYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)7-13-6-5-12-8-14-9-15(12)11-3-4-11/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66140393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).