N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine

C14H23N3 — CID 79329224

IUPACN-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1cncn1C(C)C)CNC1CC1
InChIInChI=1S/C14H23N3/c1-4-12(8-16-13-5-6-13)7-14-9-15-10-17(14)11(2)3/h7,9-11,13,16H,4-6,8H2,1-3H3
InChIKeyKREDOOFBWSUZQQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine

N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine (PubChem CID 79329224) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
PubChem CID79329224
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1cncn1C(C)C)CNC1CC1
InChIInChI=1S/C14H23N3/c1-4-12(8-16-13-5-6-13)7-14-9-15-10-17(14)11(2)3/h7,9-11,13,16H,4-6,8H2,1-3H3
InChIKeyKREDOOFBWSUZQQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine (CID 79329224) is N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine is CCC(=Cc1cncn1C(C)C)CNC1CC1.
What is the InChIKey of N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine?
The InChIKey is KREDOOFBWSUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12(8-16-13-5-6-13)7-14-9-15-10-17(14)11(2)3/h7,9-11,13,16H,4-6,8H2,1-3H3.
What are the key properties of N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine?
N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine has a molecular weight of 233.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79329224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).