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

C17H31N3 — CID 81025135

IUPAC2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1nccn1C
InChIInChI=1S/C17H31N3/c1-14(2)12-18-13-16-8-6-4-5-7-15(16)11-17-19-9-10-20(17)3/h9-10,14-16,18H,4-8,11-13H2,1-3H3
InChIKeyWNLHFCLXXZKHHF-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.40
Rot. Bonds6

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

2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81025135) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81025135
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1nccn1C
InChIInChI=1S/C17H31N3/c1-14(2)12-18-13-16-8-6-4-5-7-15(16)11-17-19-9-10-20(17)3/h9-10,14-16,18H,4-8,11-13H2,1-3H3
InChIKeyWNLHFCLXXZKHHF-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine (CID 81025135) is 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine is CC(C)CNCC1CCCCCC1Cc1nccn1C.
What is the InChIKey of 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is WNLHFCLXXZKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)12-18-13-16-8-6-4-5-7-15(16)11-17-19-9-10-20(17)3/h9-10,14-16,18H,4-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81025135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).