3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine

C13H26N4O — CID 104886264

IUPAC3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
SMILESCN(CC1CCCOC1)/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H26N4O/c1-17(9-11-5-4-8-18-10-11)13(16-14)15-12-6-2-3-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyOIKUIXHXHUYKPR-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.11
Rot. Bonds3

About 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine

3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine (PubChem CID 104886264) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
PubChem CID104886264
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
SMILESCN(CC1CCCOC1)/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H26N4O/c1-17(9-11-5-4-8-18-10-11)13(16-14)15-12-6-2-3-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyOIKUIXHXHUYKPR-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
CID 104882236
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine (CID 104886264) is 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine is CN(CC1CCCOC1)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine?
The InChIKey is OIKUIXHXHUYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-17(9-11-5-4-8-18-10-11)13(16-14)15-12-6-2-3-7-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine?
3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine has a molecular weight of 254.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine is sourced from PubChem (CID 104886264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).