1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine

C14H30N4O — CID 104886649

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCC1CCC(C)CC1)NN
InChIInChI=1S/C14H30N4O/c1-11-4-6-13(7-5-11)8-9-16-14(18-15)17-12(2)10-19-3/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyMSFRORSPKNUHQI-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.65
Rot. Bonds6

About 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine (PubChem CID 104886649) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
PubChem CID104886649
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCC1CCC(C)CC1)NN
InChIInChI=1S/C14H30N4O/c1-11-4-6-13(7-5-11)8-9-16-14(18-15)17-12(2)10-19-3/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyMSFRORSPKNUHQI-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': '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-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine (CID 104886649) is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine is COCC(C)N/C(=N/CCC1CCC(C)CC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine?
The InChIKey is MSFRORSPKNUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11-4-6-13(7-5-11)8-9-16-14(18-15)17-12(2)10-19-3/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]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-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine is sourced from PubChem (CID 104886649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).