1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine

C10H21N3O — CID 62522147

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-9(11)13-10(7-14)5-3-4-6-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyOKWKQTMTLWYWEU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine

1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine (PubChem CID 62522147) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine
PubChem CID62522147
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-9(11)13-10(7-14)5-3-4-6-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyOKWKQTMTLWYWEU-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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

1-(1-Hydroxyhexan-2-yl)-2-methylguanidine
CID 23103999
Acetic acid;2-amino-1,3-diazaspiro[4.4]non-2-en-4-ol
CID 16062993
2-Amino-1,3-diazaspiro[4.4]non-2-en-4-ol
CID 16062994
2-Cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine
CID 55087084
2-Cyclopentyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine
CID 62362966
1-Tert-butyl-2-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62363327
2-Cyclopentyl-1-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62368903
1-[3-(Hydroxymethyl)pentan-3-yl]-2-propan-2-ylguanidine
CID 62519834
1-Tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62521968
1-[1-(Hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
CID 62521969
2-Cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62521970
2-Cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62521971

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine (CID 62522147) is 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine is CC(C)/N=C(\N)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine?
The InChIKey is OKWKQTMTLWYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)12-9(11)13-10(7-14)5-3-4-6-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine?
1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-2-propan-2-ylguanidine is sourced from PubChem (CID 62522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).