1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine

C9H21N3O2 — CID 106162005

IUPAC1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(CCO)COC
InChIInChI=1S/C9H21N3O2/c1-3-5-11-9(10)12-8(4-6-13)7-14-2/h8,13H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyPXZQXRWPXJFPAM-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.30
Rot. Bonds7

About 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine

1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine (PubChem CID 106162005) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine
PubChem CID106162005
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(CCO)COC
InChIInChI=1S/C9H21N3O2/c1-3-5-11-9(10)12-8(4-6-13)7-14-2/h8,13H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyPXZQXRWPXJFPAM-UHFFFAOYSA-N
XLogP-0.30
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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-(2-Butoxyethyl)-2-(2-hydroxyethyl)guanidine
CID 117948890
1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine;2-[(2R)-1-hydroxypropan-2-yl]guanidine
CID 159377671
1-(1-hydroxypropan-2-yl)-2,3-dimethylguanidine;2-[(2R)-1-hydroxypropan-2-yl]guanidine
CID 159377672
1-Butyl-3-(1-methoxypropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 56805679
1-(1-Hydroxybutan-2-yl)-2-methylguanidine
CID 62359526
2-Ethyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62363948
1-(1-Hydroxybutan-2-yl)-2-propylguanidine
CID 62363949
2-(1-Hydroxybutan-2-yl)-1-propan-2-ylguanidine
CID 62364168
2-Cyclopropyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62364169
1-(1-Hydroxybutan-2-yl)-2-(2-methylpropyl)guanidine
CID 62364171
2-Ethyl-1-(1-methoxybutan-2-yl)guanidine
CID 64402574
1-(1-Methoxybutan-2-yl)-2-propylguanidine
CID 64402778

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine?
The IUPAC name of 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine (CID 106162005) is 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine is CCC/N=C(\N)NC(CCO)COC.
What is the InChIKey of 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine?
The InChIKey is PXZQXRWPXJFPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-5-11-9(10)12-8(4-6-13)7-14-2/h8,13H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine?
1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine has a molecular weight of 203.29 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine is sourced from PubChem (CID 106162005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).