1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine

C14H30N4O — CID 104886733

IUPAC1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H30N4O/c1-4-19-9-5-8-16-14(18-15)17-13-7-6-11(2)12(3)10-13/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyZOGIEZQHDSGAAK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.65
Rot. Bonds6

About 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine

1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine (PubChem CID 104886733) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
PubChem CID104886733
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H30N4O/c1-4-19-9-5-8-16-14(18-15)17-13-7-6-11(2)12(3)10-13/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyZOGIEZQHDSGAAK-UHFFFAOYSA-N
XLogP1.65
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
CID 104886859
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
CID 104931190
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
CID 104888226
1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
CID 104884008
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
CID 104886736
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine (CID 104886733) is 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NC1CCC(C)C(C)C1.
What is the InChIKey of 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine?
The InChIKey is ZOGIEZQHDSGAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-19-9-5-8-16-14(18-15)17-13-7-6-11(2)12(3)10-13/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine?
1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104886733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).