2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine

C20H41N5O — CID 111022217

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(N(C)C)CCCC(C)C1)NCC(C)N1CCOCC1
InChIInChI=1S/C20H41N5O/c1-6-21-19(22-15-18(3)25-10-12-26-13-11-25)23-16-20(24(4)5)9-7-8-17(2)14-20/h17-18H,6-16H2,1-5H3,(H2,21,22,23)
InChIKeyKLMUECSZMRWQCI-UHFFFAOYSA-N
MW367.58 g/mol
LogP1.77
Rot. Bonds7

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111022217) has the molecular formula C20H41N5O and a molecular weight of 367.58 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111022217
Molecular FormulaC20H41N5O
Molecular Weight367.58 g/mol
Exact Mass367.33
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(N(C)C)CCCC(C)C1)NCC(C)N1CCOCC1
InChIInChI=1S/C20H41N5O/c1-6-21-19(22-15-18(3)25-10-12-26-13-11-25)23-16-20(24(4)5)9-7-8-17(2)14-20/h17-18H,6-16H2,1-5H3,(H2,21,22,23)
InChIKeyKLMUECSZMRWQCI-UHFFFAOYSA-N
XLogP1.77
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110973059
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-propylguanidine
CID 111228683
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138219
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712317
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343818
1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111827267
1-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111510310
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111499960
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021902
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine (CID 111022217) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC1(N(C)C)CCCC(C)C1)NCC(C)N1CCOCC1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is KLMUECSZMRWQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O/c1-6-21-19(22-15-18(3)25-10-12-26-13-11-25)23-16-20(24(4)5)9-7-8-17(2)14-20/h17-18H,6-16H2,1-5H3,(H2,21,22,23).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 367.58 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111022217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).