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

C15H27N3 — CID 65399979

IUPACN-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-3-10-16-14(15-17-11-12-18(15)2)13-8-6-4-5-7-9-13/h11-14,16H,3-10H2,1-2H3
InChIKeyRARQKTSAPDNAOK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.43
Rot. Bonds5

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

N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 65399979) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID65399979
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-3-10-16-14(15-17-11-12-18(15)2)13-8-6-4-5-7-9-13/h11-14,16H,3-10H2,1-2H3
InChIKeyRARQKTSAPDNAOK-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 65399979) is N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is RARQKTSAPDNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-10-16-14(15-17-11-12-18(15)2)13-8-6-4-5-7-9-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65399979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).