1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine

C16H33N3O2 — CID 111756964

IUPAC1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(CN/C(=N/C)NC(C)COC)CCCCC1
InChIInChI=1S/C16H33N3O2/c1-5-11-21-16(9-7-6-8-10-16)13-18-15(17-3)19-14(2)12-20-4/h14H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyYHNQLVHBTARWIF-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.32
Rot. Bonds8

About 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine

1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine (PubChem CID 111756964) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
PubChem CID111756964
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(CN/C(=N/C)NC(C)COC)CCCCC1
InChIInChI=1S/C16H33N3O2/c1-5-11-21-16(9-7-6-8-10-16)13-18-15(17-3)19-14(2)12-20-4/h14H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyYHNQLVHBTARWIF-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
CID 111757094
N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111756781
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236606
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 111756895
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 109430128
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237010
1-[2-(azepan-1-yl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235502
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 111760433
1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111234643
1-(1-methoxypropan-2-yl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111236637
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236038

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine (CID 111756964) is 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine is CCCOC1(CN/C(=N/C)NC(C)COC)CCCCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine?
The InChIKey is YHNQLVHBTARWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-11-21-16(9-7-6-8-10-16)13-18-15(17-3)19-14(2)12-20-4/h14H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine has a molecular weight of 299.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 111756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).