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

C18H37N5O — CID 111077161

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC1CCCC(C/N=C(\N)NCCCN2CCOCC2)(N(C)C)C1
InChIInChI=1S/C18H37N5O/c1-16-6-4-7-18(14-16,22(2)3)15-21-17(19)20-8-5-9-23-10-12-24-13-11-23/h16H,4-15H2,1-3H3,(H3,19,20,21)
InChIKeyNHOKDNCGSGJFOK-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.12
Rot. Bonds7

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

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111077161) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111077161
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC1CCCC(C/N=C(\N)NCCCN2CCOCC2)(N(C)C)C1
InChIInChI=1S/C18H37N5O/c1-16-6-4-7-18(14-16,22(2)3)15-21-17(19)20-8-5-9-23-10-12-24-13-11-23/h16H,4-15H2,1-3H3,(H3,19,20,21)
InChIKeyNHOKDNCGSGJFOK-UHFFFAOYSA-N
XLogP1.12
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)guanidine;hydroiodide
CID 110927467
N,N,3-trimethyl-1-[(2-morpholin-4-ylethylamino)methyl]cyclohexan-1-amine
CID 61211177
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62361793
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111911902
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62358998
2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111026426
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111077161) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine is CC1CCCC(C/N=C(\N)NCCCN2CCOCC2)(N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is NHOKDNCGSGJFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-16-6-4-7-18(14-16,22(2)3)15-21-17(19)20-8-5-9-23-10-12-24-13-11-23/h16H,4-15H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 339.53 g/mol, XLogP of 1.12, 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-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111077161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).