2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine

C10H23N3O — CID 118456471

IUPAC2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NCCCO)NC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)12-10(13-9(3)4)11-6-5-7-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyFUBCIXHJUHFDOV-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.72
Rot. Bonds5

About 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine

2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine (PubChem CID 118456471) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine
PubChem CID118456471
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NCCCO)NC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)12-10(13-9(3)4)11-6-5-7-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyFUBCIXHJUHFDOV-UHFFFAOYSA-N
XLogP0.72
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine (CID 118456471) is 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine is CC(C)NC(=NCCCO)NC(C)C.
What is the InChIKey of 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine?
The InChIKey is FUBCIXHJUHFDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)12-10(13-9(3)4)11-6-5-7-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine?
2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 118456471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).