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

C21H41N3 — CID 19826637

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

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

1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine (PubChem CID 19826637) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine
PubChem CID19826637
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine
SMILESCCCCC(CC)CN(/C(N)=N/C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H41N3/c1-3-5-12-18(4-2)17-24(20-15-10-7-11-16-20)21(22)23-19-13-8-6-9-14-19/h18-20H,3-17H2,1-2H3,(H2,22,23)
InChIKeyWAWHJXMQVUINJA-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

(5S)-1-butyl-5-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640800
(5S)-5-butyl-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 145963370
(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640799
(5S)-5-[4-[(4S)-2-amino-4-(cyclohexylmethyl)-4,5-dihydroimidazol-1-yl]butyl]-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine
CID 145961808
(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 118735460
(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 118735469
(5S)-5-[4-[(4S)-2-amino-4-[(2S)-butan-2-yl]-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 118735457
(5S)-5-[4-[(4S)-2-amino-4-[(2S)-butan-2-yl]-4,5-dihydroimidazol-1-yl]butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 118735466
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 118735463
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 118735454
5-Butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 73759600
1,1-Dicyclohexyl-2-(2-ethylhexyl)guanidine
CID 19826639

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine?
The IUPAC name of 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine (CID 19826637) is 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine.
What is the SMILES notation for 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine?
The canonical SMILES for 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine is CCCCC(CC)CN(/C(N)=N/C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine?
The InChIKey is WAWHJXMQVUINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-3-5-12-18(4-2)17-24(20-15-10-7-11-16-20)21(22)23-19-13-8-6-9-14-19/h18-20H,3-17H2,1-2H3,(H2,22,23).
What are the key properties of 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine?
1,2-dicyclohexyl-1-(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 1,2-dicyclohexyl-1-(2-ethylhexyl)guanidine is sourced from PubChem (CID 19826637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).