N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide

C13H24N2O — CID 64570352

IUPACN-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
SMILESCCN(CC1CC1)C(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-2-15(10-11-7-8-11)13(16)12-6-4-3-5-9-14-12/h11-12,14H,2-10H2,1H3
InChIKeyRUKBMFFZVPXALN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide

N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide (PubChem CID 64570352) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
PubChem CID64570352
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
SMILESCCN(CC1CC1)C(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-2-15(10-11-7-8-11)13(16)12-6-4-3-5-9-14-12/h11-12,14H,2-10H2,1H3
InChIKeyRUKBMFFZVPXALN-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,N-bis(cyclopropylmethyl)piperidine-2-carboxamide
CID 103811837
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
(2S)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 93367971
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
CID 103809901
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 54872870

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide (CID 64570352) is N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide is CCN(CC1CC1)C(=O)C1CCCCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide?
The InChIKey is RUKBMFFZVPXALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15(10-11-7-8-11)13(16)12-6-4-3-5-9-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide?
N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide is sourced from PubChem (CID 64570352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).