N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine

C14H25N3 — CID 106572263

IUPACN-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(CC)C(C)n1cc(C)nc1NC1CC1
InChIInChI=1S/C14H25N3/c1-5-12(6-2)11(4)17-9-10(3)15-14(17)16-13-7-8-13/h9,11-13H,5-8H2,1-4H3,(H,15,16)
InChIKeyPFRSMTPFXIEGEI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine

N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106572263) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine
PubChem CID106572263
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(CC)C(C)n1cc(C)nc1NC1CC1
InChIInChI=1S/C14H25N3/c1-5-12(6-2)11(4)17-9-10(3)15-14(17)16-13-7-8-13/h9,11-13H,5-8H2,1-4H3,(H,15,16)
InChIKeyPFRSMTPFXIEGEI-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine (CID 106572263) is N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine is CCC(CC)C(C)n1cc(C)nc1NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is PFRSMTPFXIEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-12(6-2)11(4)17-9-10(3)15-14(17)16-13-7-8-13/h9,11-13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine?
N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106572263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).