N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine

C12H21N3 — CID 63977093

IUPACN-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nccn1C
InChIInChI=1S/C12H21N3/c1-13-11-7-5-3-4-6-10(11)12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3
InChIKeyCVAZQBKDHMJCCR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds2

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

N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine (PubChem CID 63977093) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
PubChem CID63977093
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nccn1C
InChIInChI=1S/C12H21N3/c1-13-11-7-5-3-4-6-10(11)12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3
InChIKeyCVAZQBKDHMJCCR-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
N,1-dimethyl-4-(1-methylimidazol-2-yl)pyrrolidin-3-amine
CID 130909427
N-methyl-2-(1-methylimidazol-2-yl)oxycyclohexan-1-amine
CID 102634501
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 127004734
2-cyclopentyl-1-methylimidazole
CID 83382106
2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81024634
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 81014981
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
N-methyl-2-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603058
1-methyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 62132741
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine (CID 63977093) is N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine is CNC1CCCCCC1c1nccn1C.
What is the InChIKey of N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is CVAZQBKDHMJCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-11-7-5-3-4-6-10(11)12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine?
N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 63977093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).