2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine

C12H21N3 — CID 66116512

IUPAC2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCn1cncc1C1CC1CNC(C)(C)C
InChIInChI=1S/C12H21N3/c1-12(2,3)14-6-9-5-10(9)11-7-13-8-15(11)4/h7-10,14H,5-6H2,1-4H3
InChIKeySVIYSFFJEYHWNX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine (PubChem CID 66116512) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
PubChem CID66116512
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCn1cncc1C1CC1CNC(C)(C)C
InChIInChI=1S/C12H21N3/c1-12(2,3)14-6-9-5-10(9)11-7-13-8-15(11)4/h7-10,14H,5-6H2,1-4H3
InChIKeySVIYSFFJEYHWNX-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine (CID 66116512) is 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine is Cn1cncc1C1CC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is SVIYSFFJEYHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)14-6-9-5-10(9)11-7-13-8-15(11)4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66116512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).