1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine

C21H41N3 — CID 19826639

IUPAC1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine
SMILESCCCCC(CC)C/N=C(\N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H41N3/c1-3-5-12-18(4-2)17-23-21(22)24(19-13-8-6-9-14-19)20-15-10-7-11-16-20/h18-20H,3-17H2,1-2H3,(H2,22,23)
InChIKeyMWEUXNNXDSTFQO-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.48
Rot. Bonds8

About 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine

1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine (PubChem CID 19826639) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine.

Molecular Properties

Compound Name1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine
PubChem CID19826639
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine
SMILESCCCCC(CC)C/N=C(\N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H41N3/c1-3-5-12-18(4-2)17-23-21(22)24(19-13-8-6-9-14-19)20-15-10-7-11-16-20/h18-20H,3-17H2,1-2H3,(H2,22,23)
InChIKeyMWEUXNNXDSTFQO-UHFFFAOYSA-N
XLogP5.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
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-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
CID 110029374
1,1-dicyclohexyl-2-(11-methyldodecyl)guanidine
CID 19826646
N'-(2-ethylhexyl)thiomorpholine-4-carboximidamide
CID 111022524
1-N',9-N'-bis[N'-(2-ethylhexyl)carbamimidoyl]nonanediimidamide
CID 140591662
1,1-dicyclopentyl-2-methylguanidine
CID 68865580
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde
CID 178080464
methyl N-cyano-N'-(2-ethylhexyl)carbamimidothioate
CID 107815208
1-cyclohexyl-N,2-diethylhexan-1-imine
CID 143444517
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
CID 176518157
1-amino-2-(2-ethylhexyl)-3-propylguanidine
CID 107819395
1,1-dicyclohexyl-2-piperidin-1-ylguanidine
CID 67195280

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine?
The IUPAC name of 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine (CID 19826639) is 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine.
What is the SMILES notation for 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine?
The canonical SMILES for 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine is CCCCC(CC)C/N=C(\N)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine?
The InChIKey is MWEUXNNXDSTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-3-5-12-18(4-2)17-23-21(22)24(19-13-8-6-9-14-19)20-15-10-7-11-16-20/h18-20H,3-17H2,1-2H3,(H2,22,23).
What are the key properties of 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine?
1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine has a molecular weight of 335.58 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine is sourced from PubChem (CID 19826639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).