2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C18H34N4O — CID 111190182

IUPAC2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCN(CC1CC1)C1CC1)NC1CCC(O)CC1
InChIInChI=1S/C18H34N4O/c1-2-19-18(21-15-5-9-17(23)10-6-15)20-11-12-22(16-7-8-16)13-14-3-4-14/h14-17,23H,2-13H2,1H3,(H2,19,20,21)
InChIKeyMATFNOKEGVFJDU-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190182) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190182
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCN(CC1CC1)C1CC1)NC1CCC(O)CC1
InChIInChI=1S/C18H34N4O/c1-2-19-18(21-15-5-9-17(23)10-6-15)20-11-12-22(16-7-8-16)13-14-3-4-14/h14-17,23H,2-13H2,1H3,(H2,19,20,21)
InChIKeyMATFNOKEGVFJDU-UHFFFAOYSA-N
XLogP1.72
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111140674
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256762
(3R)-N'-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111549978
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019039
2-[3-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
CID 111189374
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
4-[cyclopropylmethyl(propyl)amino]cyclohexan-1-ol
CID 114762423
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111190182) is 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CCN(CC1CC1)C1CC1)NC1CCC(O)CC1.
What is the InChIKey of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is MATFNOKEGVFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-2-19-18(21-15-5-9-17(23)10-6-15)20-11-12-22(16-7-8-16)13-14-3-4-14/h14-17,23H,2-13H2,1H3,(H2,19,20,21).
What are the key properties of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 322.50 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).