2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine

C10H21N3O — CID 62362767

IUPAC2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
SMILESCCC(CO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C10H21N3O/c1-2-8(7-14)12-10(11)13-9-5-3-4-6-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyONEHYENEHMJQLK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds4

About 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine

2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine (PubChem CID 62362767) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
PubChem CID62362767
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
SMILESCCC(CO)N/C(N)=N/C1CCCC1
InChIInChI=1S/C10H21N3O/c1-2-8(7-14)12-10(11)13-9-5-3-4-6-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyONEHYENEHMJQLK-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.60
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

2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
2-cyclohexyl-1-octan-4-ylguanidine
CID 106025617
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine
CID 63264965
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 107221301
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine (CID 62362767) is 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine is CCC(CO)N/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine?
The InChIKey is ONEHYENEHMJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-8(7-14)12-10(11)13-9-5-3-4-6-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine?
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine is sourced from PubChem (CID 62362767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).