1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine

C13H25N5O — CID 111814164

IUPAC1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)NC(C)CCCC(C)C)no1
InChIInChI=1S/C13H25N5O/c1-9(2)6-5-7-10(3)16-13(14)15-8-12-17-11(4)19-18-12/h9-10H,5-8H2,1-4H3,(H3,14,15,16)
InChIKeyOULCZZFBXLVBQZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.00
Rot. Bonds7

About 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine

1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (PubChem CID 111814164) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
PubChem CID111814164
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)NC(C)CCCC(C)C)no1
InChIInChI=1S/C13H25N5O/c1-9(2)6-5-7-10(3)16-13(14)15-8-12-17-11(4)19-18-12/h9-10H,5-8H2,1-4H3,(H3,14,15,16)
InChIKeyOULCZZFBXLVBQZ-UHFFFAOYSA-N
XLogP2.00
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
CID 103734481
1-ethyl-3-(3-methylbutyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602340
1-(6-methylheptan-2-yl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111809424
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111814197
1-(6-methylheptan-2-yl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111080266
1-(6-methylheptan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111822416
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
2-[(4-methoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111024362
1-(6-methylheptan-2-yl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807391
1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 106419327
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111089599

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (CID 111814164) is 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is Cc1nc(C/N=C(\N)NC(C)CCCC(C)C)no1.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The InChIKey is OULCZZFBXLVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(2)6-5-7-10(3)16-13(14)15-8-12-17-11(4)19-18-12/h9-10H,5-8H2,1-4H3,(H3,14,15,16).
What are the key properties of 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine has a molecular weight of 267.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111814164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).