aminomethanol;propan-1-amine;dihydrate

C4H18N2O3 — CID 140660358

IUPACaminomethanol;propan-1-amine;dihydrate
SMILESCCCN.NCO.O.O
InChIInChI=1S/C3H9N.CH5NO.2H2O/c1-2-3-4;2-1-3;;/h2-4H2,1H3;3H,1-2H2;2*1H2
InChIKeyPGKHDJWPDFQCOA-UHFFFAOYSA-N
MW142.20 g/mol
LogP-2.40
Rot. Bonds1

About aminomethanol;propan-1-amine;dihydrate

aminomethanol;propan-1-amine;dihydrate (PubChem CID 140660358) has the molecular formula C4H18N2O3 and a molecular weight of 142.20 g/mol. Its IUPAC name is aminomethanol;propan-1-amine;dihydrate.

Molecular Properties

Compound Nameaminomethanol;propan-1-amine;dihydrate
PubChem CID140660358
Molecular FormulaC4H18N2O3
Molecular Weight142.20 g/mol
Exact Mass142.13
IUPAC Nameaminomethanol;propan-1-amine;dihydrate
SMILESCCCN.NCO.O.O
InChIInChI=1S/C3H9N.CH5NO.2H2O/c1-2-3-4;2-1-3;;/h2-4H2,1H3;3H,1-2H2;2*1H2
InChIKeyPGKHDJWPDFQCOA-UHFFFAOYSA-N
XLogP-2.40
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetrakis(propan-1-amine);hydrochloride
CID 175147517
methanamine;propan-1-amine
CID 174401189
aminomethanol;dihydrate
CID 173179339
ethane-1,2-diamine;propan-1-ol
CID 88786537
ethane;methanamine;bis(propan-1-amine)
CID 142026160
azane;propan-1-amine;hydrochloride
CID 141075684
ethanol;octan-1-amine;hydrate
CID 174925866
hydrazine;propan-1-ol;hydrate
CID 87801534
cyclohexane;propan-1-amine
CID 159085812
oxalic acid;bis(propan-1-amine)
CID 173398819
ethanol;methanamine;hydrate
CID 173355731
2-aminoethanol;butan-1-ol
CID 23216731

Frequently Asked Questions

What is the IUPAC name of aminomethanol;propan-1-amine;dihydrate?
The IUPAC name of aminomethanol;propan-1-amine;dihydrate (CID 140660358) is aminomethanol;propan-1-amine;dihydrate.
What is the SMILES notation for aminomethanol;propan-1-amine;dihydrate?
The canonical SMILES for aminomethanol;propan-1-amine;dihydrate is CCCN.NCO.O.O.
What is the InChIKey of aminomethanol;propan-1-amine;dihydrate?
The InChIKey is PGKHDJWPDFQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH5NO.2H2O/c1-2-3-4;2-1-3;;/h2-4H2,1H3;3H,1-2H2;2*1H2.
What are the key properties of aminomethanol;propan-1-amine;dihydrate?
aminomethanol;propan-1-amine;dihydrate has a molecular weight of 142.20 g/mol, XLogP of -2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanol;propan-1-amine;dihydrate is sourced from PubChem (CID 140660358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).