ethane;4-methyl-1,4-diazepane-1-carboximidamide

C9H22N4 — CID 142313225

IUPACethane;4-methyl-1,4-diazepane-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C7H16N4.C2H6/c1-10-3-2-4-11(6-5-10)7(8)9;1-2/h2-6H2,1H3,(H3,8,9);1-2H3
InChIKeyRRVDFPIPURMXGA-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.54
Rot. Bonds

About ethane;4-methyl-1,4-diazepane-1-carboximidamide

ethane;4-methyl-1,4-diazepane-1-carboximidamide (PubChem CID 142313225) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;4-methyl-1,4-diazepane-1-carboximidamide.

Molecular Properties

Compound Nameethane;4-methyl-1,4-diazepane-1-carboximidamide
PubChem CID142313225
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Nameethane;4-methyl-1,4-diazepane-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C7H16N4.C2H6/c1-10-3-2-4-11(6-5-10)7(8)9;1-2/h2-6H2,1H3,(H3,8,9);1-2H3
InChIKeyRRVDFPIPURMXGA-UHFFFAOYSA-N
XLogP0.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine
CID 162358247
4-propylpiperazine-1-carboximidamide
CID 18176782
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
bis(piperidine-1-carboximidamide);sulfate
CID 176520873
piperidine-1-carboximidamide sulfate
CID 19705071
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
4-(3-hydroxypropyl)piperazine-1-carboximidamide
CID 170081980

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,4-diazepane-1-carboximidamide?
The IUPAC name of ethane;4-methyl-1,4-diazepane-1-carboximidamide (CID 142313225) is ethane;4-methyl-1,4-diazepane-1-carboximidamide.
What is the SMILES notation for ethane;4-methyl-1,4-diazepane-1-carboximidamide?
The canonical SMILES for ethane;4-methyl-1,4-diazepane-1-carboximidamide is CC.[H]/N=C(\N)N1CCCN(C)CC1.
What is the InChIKey of ethane;4-methyl-1,4-diazepane-1-carboximidamide?
The InChIKey is RRVDFPIPURMXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.C2H6/c1-10-3-2-4-11(6-5-10)7(8)9;1-2/h2-6H2,1H3,(H3,8,9);1-2H3.
What are the key properties of ethane;4-methyl-1,4-diazepane-1-carboximidamide?
ethane;4-methyl-1,4-diazepane-1-carboximidamide has a molecular weight of 186.30 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,4-diazepane-1-carboximidamide is sourced from PubChem (CID 142313225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).