2-[2-(dimethylamino)propyl]-1-hydroxyguanidine

C6H16N4O — CID 62483535

IUPAC2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
SMILESCC(C/N=C(\N)NO)N(C)C
InChIInChI=1S/C6H16N4O/c1-5(10(2)3)4-8-6(7)9-11/h5,11H,4H2,1-3H3,(H3,7,8,9)
InChIKeyKUOCXKULWGQSCS-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.77
Rot. Bonds3

About 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine

2-[2-(dimethylamino)propyl]-1-hydroxyguanidine (PubChem CID 62483535) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
PubChem CID62483535
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
SMILESCC(C/N=C(\N)NO)N(C)C
InChIInChI=1S/C6H16N4O/c1-5(10(2)3)4-8-6(7)9-11/h5,11H,4H2,1-3H3,(H3,7,8,9)
InChIKeyKUOCXKULWGQSCS-UHFFFAOYSA-N
XLogP-0.77
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.77
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
ethane;1-hydroxy-2-propylguanidine
CID 162518458
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(diethylamino)propyl]-1-propylguanidine
CID 111055329
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine
CID 104765885
N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 62363808
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine?
The IUPAC name of 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine (CID 62483535) is 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine is CC(C/N=C(\N)NO)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine?
The InChIKey is KUOCXKULWGQSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-5(10(2)3)4-8-6(7)9-11/h5,11H,4H2,1-3H3,(H3,7,8,9).
What are the key properties of 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine?
2-[2-(dimethylamino)propyl]-1-hydroxyguanidine has a molecular weight of 160.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propyl]-1-hydroxyguanidine is sourced from PubChem (CID 62483535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).