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

C12H22N4 — CID 63904236

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
SMILESCN(Cc1nccn1C)C1CCCNCC1
InChIInChI=1S/C12H22N4/c1-15-9-8-14-12(15)10-16(2)11-4-3-6-13-7-5-11/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeySQSWPXXWBOXDLY-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.99
Rot. Bonds3

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine (PubChem CID 63904236) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
PubChem CID63904236
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
SMILESCN(Cc1nccn1C)C1CCCNCC1
InChIInChI=1S/C12H22N4/c1-15-9-8-14-12(15)10-16(2)11-4-3-6-13-7-5-11/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeySQSWPXXWBOXDLY-UHFFFAOYSA-N
XLogP0.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
CID 107172040
1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
CID 117355823
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine (CID 63904236) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine is CN(Cc1nccn1C)C1CCCNCC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
The InChIKey is SQSWPXXWBOXDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-9-8-14-12(15)10-16(2)11-4-3-6-13-7-5-11/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine has a molecular weight of 222.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 63904236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).