1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine

C12H26N4 — CID 62364218

IUPAC1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCCCN1C
InChIInChI=1S/C12H26N4/c1-10(2)8-14-12(13)15-9-11-6-4-5-7-16(11)3/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyONDZYWZTTHNZFX-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.03
Rot. Bonds4

About 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine

1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine (PubChem CID 62364218) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
PubChem CID62364218
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCCCN1C
InChIInChI=1S/C12H26N4/c1-10(2)8-14-12(13)15-9-11-6-4-5-7-16(11)3/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyONDZYWZTTHNZFX-UHFFFAOYSA-N
XLogP1.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.03
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'}

Analyze 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 106026186
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111077501
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111085397

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine (CID 62364218) is 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCC1CCCCN1C.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine?
The InChIKey is ONDZYWZTTHNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(2)8-14-12(13)15-9-11-6-4-5-7-16(11)3/h10-11H,4-9H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine?
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62364218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).