2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone

C15H31N3O — CID 62008767

IUPAC2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCCCCC1)C(C)(C)CN
InChIInChI=1S/C15H31N3O/c1-4-9-18(15(2,3)13-16)12-14(19)17-10-7-5-6-8-11-17/h4-13,16H2,1-3H3
InChIKeyGVANYOPLDQVTNU-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone (PubChem CID 62008767) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
PubChem CID62008767
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCCCCC1)C(C)(C)CN
InChIInChI=1S/C15H31N3O/c1-4-9-18(15(2,3)13-16)12-14(19)17-10-7-5-6-8-11-17/h4-13,16H2,1-3H3
InChIKeyGVANYOPLDQVTNU-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
2-methyl-2-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 107911288
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
CID 113166142
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
CID 113152914

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone (CID 62008767) is 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone is CCCN(CC(=O)N1CCCCCC1)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone?
The InChIKey is GVANYOPLDQVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-9-18(15(2,3)13-16)12-14(19)17-10-7-5-6-8-11-17/h4-13,16H2,1-3H3.
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone?
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone has a molecular weight of 269.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 62008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).