1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

C13H29N5O — CID 104882626

IUPAC1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCOCCN(C)CC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C13H29N5O/c1-18(10-11-19-2)9-8-15-13(17-14)16-12-6-4-3-5-7-12/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyDMFRWTZDPRRCKV-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.31
Rot. Bonds7

About 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (PubChem CID 104882626) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
PubChem CID104882626
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCOCCN(C)CC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C13H29N5O/c1-18(10-11-19-2)9-8-15-13(17-14)16-12-6-4-3-5-7-12/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyDMFRWTZDPRRCKV-UHFFFAOYSA-N
XLogP0.31
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[(4,4-Difluorocyclohexyl)amino]-2-methoxyethyl]-2-methyl-3-(methylamino)guanidine
CID 132207765
2-[4-(2-Methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
CID 126558491
1-Cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 53573655
1-Cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 53573656
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
1-Amino-2-methyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 104882166
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882509
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882517
1-Amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 104882518
1-Amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 104882522
1-Amino-3-(2-methoxyethyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 104882527
1-Amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (CID 104882626) is 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is COCCN(C)CC/N=C(\NN)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The InChIKey is DMFRWTZDPRRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-18(10-11-19-2)9-8-15-13(17-14)16-12-6-4-3-5-7-12/h12H,3-11,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine has a molecular weight of 271.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 104882626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).