1,2-bis[(1R)-1-cyclohexylethyl]guanidine

C17H33N3 — CID 12014151

IUPAC1,2-bis[(1R)-1-cyclohexylethyl]guanidine
SMILESC[C@@H](/N=C(\N)N[C@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33N3/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3,(H3,18,19,20)/t13-,14-/m1/s1
InChIKeyISTNALDCDGVBKN-ZIAGYGMSSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds4

About 1,2-bis[(1R)-1-cyclohexylethyl]guanidine

1,2-bis[(1R)-1-cyclohexylethyl]guanidine (PubChem CID 12014151) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1,2-bis[(1R)-1-cyclohexylethyl]guanidine.

Molecular Properties

Compound Name1,2-bis[(1R)-1-cyclohexylethyl]guanidine
PubChem CID12014151
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1,2-bis[(1R)-1-cyclohexylethyl]guanidine
SMILESC[C@@H](/N=C(\N)N[C@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33N3/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3,(H3,18,19,20)/t13-,14-/m1/s1
InChIKeyISTNALDCDGVBKN-ZIAGYGMSSA-N
XLogP3.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.83
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-(1-cyclohexylethyl)-2-propylguanidine
CID 62406352
N'-(1-cyclohexylethyl)cyclohexanecarboximidamide
CID 63178475
2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
CID 170900098
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
1-cycloheptylpropane-1,2-diol
CID 103452573
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81387091
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1R)-1-cyclohexylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81386633
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(1R)-1-cyclohexylethyl]guanidine?
The IUPAC name of 1,2-bis[(1R)-1-cyclohexylethyl]guanidine (CID 12014151) is 1,2-bis[(1R)-1-cyclohexylethyl]guanidine.
What is the SMILES notation for 1,2-bis[(1R)-1-cyclohexylethyl]guanidine?
The canonical SMILES for 1,2-bis[(1R)-1-cyclohexylethyl]guanidine is C[C@@H](/N=C(\N)N[C@H](C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-bis[(1R)-1-cyclohexylethyl]guanidine?
The InChIKey is ISTNALDCDGVBKN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H33N3/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3,(H3,18,19,20)/t13-,14-/m1/s1.
What are the key properties of 1,2-bis[(1R)-1-cyclohexylethyl]guanidine?
1,2-bis[(1R)-1-cyclohexylethyl]guanidine has a molecular weight of 279.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(1R)-1-cyclohexylethyl]guanidine is sourced from PubChem (CID 12014151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).