1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine

C10H21N3 — CID 131096617

IUPAC1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N[C@@H](C)C1CCCC1
InChIInChI=1S/C10H21N3/c1-8(9-6-4-5-7-9)13-10(11-2)12-3/h8-9H,4-7H2,1-3H3,(H2,11,12,13)/t8-/m0/s1
InChIKeyXXDDKUFGYIVYPN-QMMMGPOBSA-N
MW183.30 g/mol
LogP1.36
Rot. Bonds2

About 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine

1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine (PubChem CID 131096617) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine
PubChem CID131096617
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N[C@@H](C)C1CCCC1
InChIInChI=1S/C10H21N3/c1-8(9-6-4-5-7-9)13-10(11-2)12-3/h8-9H,4-7H2,1-3H3,(H2,11,12,13)/t8-/m0/s1
InChIKeyXXDDKUFGYIVYPN-QMMMGPOBSA-N
XLogP1.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
N-(1-cyclopentylethyl)hydroxylamine
CID 82687536
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
1,2-bis[(1R)-1-cyclohexylethyl]guanidine
CID 12014151
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
CID 162293667
CID 162293667
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine (CID 131096617) is 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine is C/N=C(\NC)N[C@@H](C)C1CCCC1.
What is the InChIKey of 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine?
The InChIKey is XXDDKUFGYIVYPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(9-6-4-5-7-9)13-10(11-2)12-3/h8-9H,4-7H2,1-3H3,(H2,11,12,13)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine?
1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 131096617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).