2-(2-hydroxypentan-3-yl)guanidine

C6H15N3O — CID 131162693

IUPAC2-(2-hydroxypentan-3-yl)guanidine
SMILESCCC(N=C(N)N)C(C)O
InChIInChI=1S/C6H15N3O/c1-3-5(4(2)10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9)
InChIKeyPCBBIXLRBIZSCP-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.58
Rot. Bonds3

About 2-(2-hydroxypentan-3-yl)guanidine

2-(2-hydroxypentan-3-yl)guanidine (PubChem CID 131162693) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-(2-hydroxypentan-3-yl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxypentan-3-yl)guanidine
PubChem CID131162693
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-(2-hydroxypentan-3-yl)guanidine
SMILESCCC(N=C(N)N)C(C)O
InChIInChI=1S/C6H15N3O/c1-3-5(4(2)10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9)
InChIKeyPCBBIXLRBIZSCP-UHFFFAOYSA-N
XLogP-0.58
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.58
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

(2S,3S)-3-(aminodiazenyl)pentan-2-ol
CID 89325798
2-(1-hydroxy-3-methylbutan-2-yl)guanidine
CID 59851371
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
N'-(1,3-dihydroxybutan-2-yl)-2,2-dihydroxyethanimidamide
CID 167039344
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
CID 63176981
2-[5-(diethylamino)pentan-2-yl]guanidine
CID 62358805
pentan-3-ol
CID 11428
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
2-methylbutane;3-methylbutan-2-ol
CID 87553210
(2S,3R)-3-methylpentan-2-ol
CID 6993006

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentan-3-yl)guanidine?
The IUPAC name of 2-(2-hydroxypentan-3-yl)guanidine (CID 131162693) is 2-(2-hydroxypentan-3-yl)guanidine.
What is the SMILES notation for 2-(2-hydroxypentan-3-yl)guanidine?
The canonical SMILES for 2-(2-hydroxypentan-3-yl)guanidine is CCC(N=C(N)N)C(C)O.
What is the InChIKey of 2-(2-hydroxypentan-3-yl)guanidine?
The InChIKey is PCBBIXLRBIZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-3-5(4(2)10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9).
What are the key properties of 2-(2-hydroxypentan-3-yl)guanidine?
2-(2-hydroxypentan-3-yl)guanidine has a molecular weight of 145.21 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentan-3-yl)guanidine is sourced from PubChem (CID 131162693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).