4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide

C12H24N2O — CID 115660921

IUPAC4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)13-11(15)14-8-5-6-12(3,4)7-9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyUUIPENGSUTTYJI-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds1

About 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide

4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide (PubChem CID 115660921) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
PubChem CID115660921
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)13-11(15)14-8-5-6-12(3,4)7-9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyUUIPENGSUTTYJI-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
4,4-dimethyl-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]azepane-1-carboxamide
CID 95934326
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
CID 71868178
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
1-(4,4-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119803717
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 62931543

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide (CID 115660921) is 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide is CC(C)NC(=O)N1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide?
The InChIKey is UUIPENGSUTTYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)13-11(15)14-8-5-6-12(3,4)7-9-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide?
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide is sourced from PubChem (CID 115660921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).