1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one

C11H21N3O2 — CID 63003245

IUPAC1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one
SMILESCCCC(CN)C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(8-12)11(16)14-6-4-10(15)13-5-7-14/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeySAYAVVFCDVJDAY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds4

About 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one

1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one (PubChem CID 63003245) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one
PubChem CID63003245
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one
SMILESCCCC(CN)C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(8-12)11(16)14-6-4-10(15)13-5-7-14/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeySAYAVVFCDVJDAY-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
Hexahydro-3-(2-methylpropyl)-2H-1,4-diazepin-2-one
CID 13520382
1H-1,4-Diazepine-5,7(2H,6H)-dione, dihydro-6-ethyl-6-(1-methylethyl)-
CID 11971390
N1-acetyl-N7-4''-methyl-pentoyl cadaverine
CID 139591680
1-(Cyclopentylcarbonyl)-1,4-diazepane
CID 16228161
1-(1,4-Diazepan-1-yl)-3-methylbutan-1-one hydrochloride
CID 122360519
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CID 165935249
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide
CID 95324140
N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 12533799
1-{4-[(Piperidin-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
CID 61686366
7-Methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)-1,4-diazepane-2,5-dione
CID 64882778
1-(2,2-Difluoroethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one (CID 63003245) is 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one is CCCC(CN)C(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one?
The InChIKey is SAYAVVFCDVJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-9(8-12)11(16)14-6-4-10(15)13-5-7-14/h9H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one?
1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one has a molecular weight of 227.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one is sourced from PubChem (CID 63003245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).