1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine

C9H21N3O — CID 63363054

IUPAC1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)CO
InChIInChI=1S/C9H21N3O/c1-7(2)4-11-9(10)12-5-8(3)6-13/h7-8,13H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyNKLIECSSLJGZBH-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.18
Rot. Bonds5

About 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine

1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine (PubChem CID 63363054) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine
PubChem CID63363054
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)CO
InChIInChI=1S/C9H21N3O/c1-7(2)4-11-9(10)12-5-8(3)6-13/h7-8,13H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyNKLIECSSLJGZBH-UHFFFAOYSA-N
XLogP0.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
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-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 111070318
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
1-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 62361751
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate
CID 111069550
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 111069549
1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820754
1-[2-(diethylamino)-2-phenylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912032
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine (CID 63363054) is 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCC(C)CO.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine?
The InChIKey is NKLIECSSLJGZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)4-11-9(10)12-5-8(3)6-13/h7-8,13H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine?
1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine has a molecular weight of 187.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 63363054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).