N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine

C15H27N3 — CID 81025904

IUPACN-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1nccn1C
InChIInChI=1S/C15H27N3/c1-12(2)17-11-13-7-5-4-6-8-14(13)15-16-9-10-18(15)3/h9-10,12-14,17H,4-8,11H2,1-3H3
InChIKeyFGZSWYIRTAJGIC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.08
Rot. Bonds4

About N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine

N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine (PubChem CID 81025904) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
PubChem CID81025904
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1nccn1C
InChIInChI=1S/C15H27N3/c1-12(2)17-11-13-7-5-4-6-8-14(13)15-16-9-10-18(15)3/h9-10,12-14,17H,4-8,11H2,1-3H3
InChIKeyFGZSWYIRTAJGIC-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine (CID 81025904) is N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine is CC(C)NCC1CCCCCC1c1nccn1C.
What is the InChIKey of N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is FGZSWYIRTAJGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)17-11-13-7-5-4-6-8-14(13)15-16-9-10-18(15)3/h9-10,12-14,17H,4-8,11H2,1-3H3.
What are the key properties of N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).