N,4-dimethyl-1,4-diazepane-1-carboxamide

C8H17N3O — CID 59680276

IUPACN,4-dimethyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyKFCZJTBNVVJPKU-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds

About N,4-dimethyl-1,4-diazepane-1-carboxamide

N,4-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 59680276) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,4-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID59680276
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,4-dimethyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyKFCZJTBNVVJPKU-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497
(2R)-3-methyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 79010025
2-ethyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 79803729
N,4-dimethyl-N-[1-[4-(methylcarbamoyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 143433014
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
N-(3,5-dibromophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68996350
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
N-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 116657327
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N,4-dimethyl-1,4-diazepane-1-carboxamide (CID 59680276) is N,4-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N,4-dimethyl-1,4-diazepane-1-carboxamide is CNC(=O)N1CCCN(C)CC1.
What is the InChIKey of N,4-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is KFCZJTBNVVJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12).
What are the key properties of N,4-dimethyl-1,4-diazepane-1-carboxamide?
N,4-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59680276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).