1-cyclopropyl-2-(3-hydroxypropyl)guanidine

C7H15N3O — CID 62362403

IUPAC1-cyclopropyl-2-(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NC1CC1
InChIInChI=1S/C7H15N3O/c8-7(9-4-1-5-11)10-6-2-3-6/h6,11H,1-5H2,(H3,8,9,10)
InChIKeyDNBXISGDZNCQSY-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.56
Rot. Bonds4

About 1-cyclopropyl-2-(3-hydroxypropyl)guanidine

1-cyclopropyl-2-(3-hydroxypropyl)guanidine (PubChem CID 62362403) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-hydroxypropyl)guanidine
PubChem CID62362403
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-cyclopropyl-2-(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NC1CC1
InChIInChI=1S/C7H15N3O/c8-7(9-4-1-5-11)10-6-2-3-6/h6,11H,1-5H2,(H3,8,9,10)
InChIKeyDNBXISGDZNCQSY-UHFFFAOYSA-N
XLogP-0.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.56
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 1-cyclopropyl-2-(3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-hydroxypropyl)guanidine (CID 62362403) is 1-cyclopropyl-2-(3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-hydroxypropyl)guanidine is N/C(=N\CCCO)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-hydroxypropyl)guanidine?
The InChIKey is DNBXISGDZNCQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9-4-1-5-11)10-6-2-3-6/h6,11H,1-5H2,(H3,8,9,10).
What are the key properties of 1-cyclopropyl-2-(3-hydroxypropyl)guanidine?
1-cyclopropyl-2-(3-hydroxypropyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-hydroxypropyl)guanidine is sourced from PubChem (CID 62362403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).