N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide

C14H27N3O — CID 79314390

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide
SMILESCN(CC1CCCN1C)C(=O)C1CCCCCN1
InChIInChI=1S/C14H27N3O/c1-16-10-6-7-12(16)11-17(2)14(18)13-8-4-3-5-9-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyKUURTLDHPMVDBP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide (PubChem CID 79314390) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide
PubChem CID79314390
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide
SMILESCN(CC1CCCN1C)C(=O)C1CCCCCN1
InChIInChI=1S/C14H27N3O/c1-16-10-6-7-12(16)11-17(2)14(18)13-8-4-3-5-9-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyKUURTLDHPMVDBP-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894059
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 55174038
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-2-ylpropanamide
CID 79314839
N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 79319499
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide (CID 79314390) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide is CN(CC1CCCN1C)C(=O)C1CCCCCN1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide?
The InChIKey is KUURTLDHPMVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-10-6-7-12(16)11-17(2)14(18)13-8-4-3-5-9-15-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 79314390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).