2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine

C20H32N4 — CID 111321564

IUPAC2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(\NCC(C)(C)N1CCCCC1)NC1CC1c1ccccc1
InChIInChI=1S/C20H32N4/c1-20(2,24-12-8-5-9-13-24)15-22-19(21-3)23-18-14-17(18)16-10-6-4-7-11-16/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3,(H2,21,22,23)
InChIKeyYUEOWVZAESWUKZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.97
Rot. Bonds5

About 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine

2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111321564) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine
PubChem CID111321564
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(\NCC(C)(C)N1CCCCC1)NC1CC1c1ccccc1
InChIInChI=1S/C20H32N4/c1-20(2,24-12-8-5-9-13-24)15-22-19(21-3)23-18-14-17(18)16-10-6-4-7-11-16/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3,(H2,21,22,23)
InChIKeyYUEOWVZAESWUKZ-UHFFFAOYSA-N
XLogP2.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.97
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-(4-bromophenyl)cyclopropyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315851
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111325579
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111263084
N-benzyl-3-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propanamide
CID 111320034
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111795784
2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide
CID 110983175
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 111009107
1-(cyclopropylmethyl)-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320148
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111320135
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111320195
2-methyl-1-(2-phenylcyclopropyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine (CID 111321564) is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine is C/N=C(\NCC(C)(C)N1CCCCC1)NC1CC1c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is YUEOWVZAESWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-20(2,24-12-8-5-9-13-24)15-22-19(21-3)23-18-14-17(18)16-10-6-4-7-11-16/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine?
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 328.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111321564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).