2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine

C11H24N4 — CID 75418999

IUPAC2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1CCCN(C(C)C)C1
InChIInChI=1S/C11H24N4/c1-9(2)15-6-4-5-10(8-15)7-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyULBLAUWWDDCUHZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds3

About 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine

2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 75418999) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID75418999
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1CCCN(C(C)C)C1
InChIInChI=1S/C11H24N4/c1-9(2)15-6-4-5-10(8-15)7-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyULBLAUWWDDCUHZ-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
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

1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110916701
N',3-dimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
CID 111144878
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228410
N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153844
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
1-(2-methoxyethyl)-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110940126
2-methyl-1-pentyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111129391
ethyl 4-[N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163683
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111692587
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111611980
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (CID 75418999) is 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is C/N=C(\N)NCC1CCCN(C(C)C)C1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is ULBLAUWWDDCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)15-6-4-5-10(8-15)7-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 75418999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).