2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine

C14H30N4 — CID 111077501

IUPAC2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(CN/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C14H30N4/c1-4-7-18-8-5-13(6-9-18)11-17-14(15)16-10-12(2)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyFZDHIJCPCIZKRC-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine

2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine (PubChem CID 111077501) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
PubChem CID111077501
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(CN/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C14H30N4/c1-4-7-18-8-5-13(6-9-18)11-17-14(15)16-10-12(2)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyFZDHIJCPCIZKRC-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.67
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 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]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

2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
2-(2-methylpropyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110912183
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
2-(2-methylpropyl)-1-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111810830
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111808308
1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111085397
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62364218
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111091360
tert-butyl 3-[[[N'-(2-methylpropyl)carbamimidoyl]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032329
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111714646

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine (CID 111077501) is 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine is CCCN1CCC(CN/C(N)=N/CC(C)C)CC1.
What is the InChIKey of 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine?
The InChIKey is FZDHIJCPCIZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-7-18-8-5-13(6-9-18)11-17-14(15)16-10-12(2)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine?
2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 111077501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).