2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide

C12H26N4 — CID 63236319

IUPAC2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-10(12(13)14)8-16(3)9-11-4-6-15(2)7-5-11/h10-11H,4-9H2,1-3H3,(H3,13,14)
InChIKeyVYXRCZPWNXJVDC-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.83
Rot. Bonds5

About 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide

2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide (PubChem CID 63236319) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
PubChem CID63236319
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-10(12(13)14)8-16(3)9-11-4-6-15(2)7-5-11/h10-11H,4-9H2,1-3H3,(H3,13,14)
InChIKeyVYXRCZPWNXJVDC-UHFFFAOYSA-N
XLogP0.83
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.83
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-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
CID 63276055
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
CID 66364753
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide (CID 63236319) is 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide?
The InChIKey is VYXRCZPWNXJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(12(13)14)8-16(3)9-11-4-6-15(2)7-5-11/h10-11H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide?
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 63236319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).