(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone

C15H28N2O — CID 65281182

IUPAC(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCCC(C)(C)CC2)CCNC1
InChIInChI=1S/C15H28N2O/c1-4-15(7-9-16-12-15)13(18)17-10-5-6-14(2,3)8-11-17/h16H,4-12H2,1-3H3
InChIKeyAKNGHNDPOXFKKO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone

(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 65281182) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID65281182
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCCC(C)(C)CC2)CCNC1
InChIInChI=1S/C15H28N2O/c1-4-15(7-9-16-12-15)13(18)17-10-5-6-14(2,3)8-11-17/h16H,4-12H2,1-3H3
InChIKeyAKNGHNDPOXFKKO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63141988
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819
1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081922
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 63140062
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
CID 104967374

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone (CID 65281182) is (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)N2CCCC(C)(C)CC2)CCNC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is AKNGHNDPOXFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-15(7-9-16-12-15)13(18)17-10-5-6-14(2,3)8-11-17/h16H,4-12H2,1-3H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 65281182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).