N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide

C12H24N4O2 — CID 65361622

IUPACN-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
SMILESCN(CCCN)C(=O)CCN1CCCNC(=O)C1
InChIInChI=1S/C12H24N4O2/c1-15(7-2-5-13)12(18)4-9-16-8-3-6-14-11(17)10-16/h2-10,13H2,1H3,(H,14,17)
InChIKeyROTPKNFERUBEIY-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.99
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide

N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide (PubChem CID 65361622) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
PubChem CID65361622
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
SMILESCN(CCCN)C(=O)CCN1CCCNC(=O)C1
InChIInChI=1S/C12H24N4O2/c1-15(7-2-5-13)12(18)4-9-16-8-3-6-14-11(17)10-16/h2-10,13H2,1H3,(H,14,17)
InChIKeyROTPKNFERUBEIY-UHFFFAOYSA-N
XLogP-0.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentyl)-1,4-diazepan-2-one
CID 65361478
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
CID 102889121
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103194926
N-(2-cyanoethyl)-N-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63004460

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide (CID 65361622) is N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide is CN(CCCN)C(=O)CCN1CCCNC(=O)C1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide?
The InChIKey is ROTPKNFERUBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-15(7-2-5-13)12(18)4-9-16-8-3-6-14-11(17)10-16/h2-10,13H2,1H3,(H,14,17).
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide?
N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 65361622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).