4-(4-methyl-1,4-diazepan-1-yl)butanamide

C10H21N3O — CID 175411586

IUPAC4-(4-methyl-1,4-diazepan-1-yl)butanamide
SMILESCN1CCCN(CCCC(N)=O)CC1
InChIInChI=1S/C10H21N3O/c1-12-5-3-7-13(9-8-12)6-2-4-10(11)14/h2-9H2,1H3,(H2,11,14)
InChIKeyCPEXRBODLSHTKH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds4

About 4-(4-methyl-1,4-diazepan-1-yl)butanamide

4-(4-methyl-1,4-diazepan-1-yl)butanamide (PubChem CID 175411586) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)butanamide
PubChem CID175411586
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)butanamide
SMILESCN1CCCN(CCCC(N)=O)CC1
InChIInChI=1S/C10H21N3O/c1-12-5-3-7-13(9-8-12)6-2-4-10(11)14/h2-9H2,1H3,(H2,11,14)
InChIKeyCPEXRBODLSHTKH-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-pyrrolidin-1-ylundecanamide
CID 175975624
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
3-(4-methyl-1,4-diazepan-1-yl)propanethioamide
CID 28745025
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
copper;3-[8-(2-cyanoethyl)-4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide;diperchlorate
CID 139148818
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
5-[4-(2-aminoethyl)piperazin-1-yl]pentanamide
CID 176925582
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)butanamide?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)butanamide (CID 175411586) is 4-(4-methyl-1,4-diazepan-1-yl)butanamide.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)butanamide?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)butanamide is CN1CCCN(CCCC(N)=O)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)butanamide?
The InChIKey is CPEXRBODLSHTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-5-3-7-13(9-8-12)6-2-4-10(11)14/h2-9H2,1H3,(H2,11,14).
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)butanamide?
4-(4-methyl-1,4-diazepan-1-yl)butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)butanamide is sourced from PubChem (CID 175411586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).