4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine

C13H23N3 — CID 65080394

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCC1CCCC(NCc2nccn2C)CC1
InChIInChI=1S/C13H23N3/c1-11-4-3-5-12(7-6-11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyUELGMEOBHOGZHM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine

4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine (PubChem CID 65080394) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
PubChem CID65080394
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCC1CCCC(NCc2nccn2C)CC1
InChIInChI=1S/C13H23N3/c1-11-4-3-5-12(7-6-11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyUELGMEOBHOGZHM-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701192
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-[[5-[(1-methylimidazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106887547
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine (CID 65080394) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine is CC1CCCC(NCc2nccn2C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is UELGMEOBHOGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-4-3-5-12(7-6-11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65080394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).