2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide

C10H22N4 — CID 43368064

IUPAC2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCN(C)CC1
InChIInChI=1S/C10H22N4/c1-9(10(11)12)8-14-5-3-4-13(2)6-7-14/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyWZEOZCBSNAFODM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.20
Rot. Bonds3

About 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide

2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide (PubChem CID 43368064) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide
PubChem CID43368064
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCN(C)CC1
InChIInChI=1S/C10H22N4/c1-9(10(11)12)8-14-5-3-4-13(2)6-7-14/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyWZEOZCBSNAFODM-UHFFFAOYSA-N
XLogP0.20
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 43175069
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783
3-(4,4-dimethylazepan-1-yl)-2-methylpropanimidamide
CID 65281491
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 63219822
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 103534192
1-(2,2-difluoroethyl)-4-methyl-1,4-diazepane
CID 129297477
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide (CID 43368064) is 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CCCN(C)CC1.
What is the InChIKey of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide?
The InChIKey is WZEOZCBSNAFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(10(11)12)8-14-5-3-4-13(2)6-7-14/h9H,3-8H2,1-2H3,(H3,11,12).
What are the key properties of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide?
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide has a molecular weight of 198.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide is sourced from PubChem (CID 43368064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).