2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

C14H30N4 — CID 111056738

IUPAC2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC(C)CC/N=C(\N)NCCN1CCCCC1C
InChIInChI=1S/C14H30N4/c1-12(2)7-8-16-14(15)17-9-11-18-10-5-4-6-13(18)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyRKWVGNABJJRMFV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds6

About 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 111056738) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID111056738
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC(C)CC/N=C(\N)NCCN1CCCCC1C
InChIInChI=1S/C14H30N4/c1-12(2)7-8-16-14(15)17-9-11-18-10-5-4-6-13(18)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyRKWVGNABJJRMFV-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056754
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056792
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111057263
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (CID 111056738) is 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is CC(C)CC/N=C(\N)NCCN1CCCCC1C.
What is the InChIKey of 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is RKWVGNABJJRMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-12(2)7-8-16-14(15)17-9-11-18-10-5-4-6-13(18)3/h12-13H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111056738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).