3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide

C10H18N4O — CID 66429064

IUPAC3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)N1CCCNCC1
InChIInChI=1S/C10H18N4O/c1-12-10(15)7-9(8-11)14-5-2-3-13-4-6-14/h9,13H,2-7H2,1H3,(H,12,15)
InChIKeyNKFPTMYAOHYSDV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.69
Rot. Bonds3

About 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide

3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide (PubChem CID 66429064) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide
PubChem CID66429064
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)N1CCCNCC1
InChIInChI=1S/C10H18N4O/c1-12-10(15)7-9(8-11)14-5-2-3-13-4-6-14/h9,13H,2-7H2,1H3,(H,12,15)
InChIKeyNKFPTMYAOHYSDV-UHFFFAOYSA-N
XLogP-0.69
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)hexanenitrile
CID 61353151
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
methyl 2-(1,4-diazepan-1-yl)-3-hydroxypropanoate
CID 104711236
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
methyl 3,5-bis(1,4-diazonan-1-yl)-4-hydroxypentanoate
CID 159813624
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide?
The IUPAC name of 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide (CID 66429064) is 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide is CNC(=O)CC(C#N)N1CCCNCC1.
What is the InChIKey of 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide?
The InChIKey is NKFPTMYAOHYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-12-10(15)7-9(8-11)14-5-2-3-13-4-6-14/h9,13H,2-7H2,1H3,(H,12,15).
What are the key properties of 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide?
3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66429064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).