2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide

C13H24N2O2 — CID 82738125

IUPAC2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide
SMILESCN(C(=O)C1CCCCCC1N)C1CCOC1
InChIInChI=1S/C13H24N2O2/c1-15(10-7-8-17-9-10)13(16)11-5-3-2-4-6-12(11)14/h10-12H,2-9,14H2,1H3
InChIKeyMJKJZOLZFMKXKS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds2

About 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide

2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide (PubChem CID 82738125) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide
PubChem CID82738125
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide
SMILESCN(C(=O)C1CCCCCC1N)C1CCOC1
InChIInChI=1S/C13H24N2O2/c1-15(10-7-8-17-9-10)13(16)11-5-3-2-4-6-12(11)14/h10-12H,2-9,14H2,1H3
InChIKeyMJKJZOLZFMKXKS-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119775453
2-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 64822611
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 82742597
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 64822922
1-amino-N-methyl-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 82738686
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide (CID 82738125) is 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide is CN(C(=O)C1CCCCCC1N)C1CCOC1.
What is the InChIKey of 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide?
The InChIKey is MJKJZOLZFMKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(10-7-8-17-9-10)13(16)11-5-3-2-4-6-12(11)14/h10-12H,2-9,14H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide?
2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 82738125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).