1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine

C7H15N3O — CID 131134548

IUPAC1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
SMILESC[C@@H](O)C/N=C(\N)NC1CC1
InChIInChI=1S/C7H15N3O/c1-5(11)4-9-7(8)10-6-2-3-6/h5-6,11H,2-4H2,1H3,(H3,8,9,10)/t5-/m1/s1
InChIKeyRTNJMSKQSIQOSY-RXMQYKEDSA-N
MW157.22 g/mol
LogP-0.57
Rot. Bonds3

About 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine

1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine (PubChem CID 131134548) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
PubChem CID131134548
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
SMILESC[C@@H](O)C/N=C(\N)NC1CC1
InChIInChI=1S/C7H15N3O/c1-5(11)4-9-7(8)10-6-2-3-6/h5-6,11H,2-4H2,1H3,(H3,8,9,10)/t5-/m1/s1
InChIKeyRTNJMSKQSIQOSY-RXMQYKEDSA-N
XLogP-0.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110925393
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
1-(1,1-dioxothiolan-3-yl)-2-(2-methylpropyl)guanidine
CID 62361732

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine (CID 131134548) is 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine is C[C@@H](O)C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine?
The InChIKey is RTNJMSKQSIQOSY-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(11)4-9-7(8)10-6-2-3-6/h5-6,11H,2-4H2,1H3,(H3,8,9,10)/t5-/m1/s1.
What are the key properties of 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine?
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 131134548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).