2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine

C16H29N3 — CID 66151641

IUPAC2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C1CCCCCC1C
InChIInChI=1S/C16H29N3/c1-13(2)9-17-10-15-11-18-12-19(15)16-8-6-4-5-7-14(16)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyGODMOHBBOHNBQJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds5

About 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66151641) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66151641
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C1CCCCCC1C
InChIInChI=1S/C16H29N3/c1-13(2)9-17-10-15-11-18-12-19(15)16-8-6-4-5-7-14(16)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyGODMOHBBOHNBQJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine (CID 66151641) is 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1C1CCCCCC1C.
What is the InChIKey of 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GODMOHBBOHNBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)9-17-10-15-11-18-12-19(15)16-8-6-4-5-7-14(16)3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66151641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).