N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine

C12H21N3 — CID 62563884

IUPACN-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
SMILESCC(C)c1nccn1C(C)CNC1CC1
InChIInChI=1S/C12H21N3/c1-9(2)12-13-6-7-15(12)10(3)8-14-11-4-5-11/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyLGYQFKVQAPERFR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine

N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine (PubChem CID 62563884) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
PubChem CID62563884
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
SMILESCC(C)c1nccn1C(C)CNC1CC1
InChIInChI=1S/C12H21N3/c1-9(2)12-13-6-7-15(12)10(3)8-14-11-4-5-11/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyLGYQFKVQAPERFR-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine (CID 62563884) is N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine is CC(C)c1nccn1C(C)CNC1CC1.
What is the InChIKey of N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine?
The InChIKey is LGYQFKVQAPERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)12-13-6-7-15(12)10(3)8-14-11-4-5-11/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine?
N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62563884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).