2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide

C12H25N3O — CID 65073333

IUPAC2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide
SMILESCCN1CCCC(NC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-4-15-8-5-6-10(7-9-15)14-12(2,3)11(13)16/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyOZQCFQKBMSWGEO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide

2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide (PubChem CID 65073333) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide
PubChem CID65073333
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide
SMILESCCN1CCCC(NC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-4-15-8-5-6-10(7-9-15)14-12(2,3)11(13)16/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyOZQCFQKBMSWGEO-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylpropanamide
CID 61220165
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
N-(1-ethylpiperidin-4-yl)hydroxylamine
CID 82685178
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide (CID 65073333) is 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide is CCN1CCCC(NC(C)(C)C(N)=O)CC1.
What is the InChIKey of 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide?
The InChIKey is OZQCFQKBMSWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15-8-5-6-10(7-9-15)14-12(2,3)11(13)16/h10,14H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide?
2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 65073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).