acetic acid;pyrrolidin-1-amine

C6H14N2O2 — CID 159894737

IUPACacetic acid;pyrrolidin-1-amine
SMILESCC(=O)O.NN1CCCC1
InChIInChI=1S/C4H10N2.C2H4O2/c5-6-3-1-2-4-6;1-2(3)4/h1-5H2;1H3,(H,3,4)
InChIKeyNVEUPSSSUXVNTC-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.05
Rot. Bonds

About acetic acid;pyrrolidin-1-amine

acetic acid;pyrrolidin-1-amine (PubChem CID 159894737) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetic acid;pyrrolidin-1-amine.

Molecular Properties

Compound Nameacetic acid;pyrrolidin-1-amine
PubChem CID159894737
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameacetic acid;pyrrolidin-1-amine
SMILESCC(=O)O.NN1CCCC1
InChIInChI=1S/C4H10N2.C2H4O2/c5-6-3-1-2-4-6;1-2(3)4/h1-5H2;1H3,(H,3,4)
InChIKeyNVEUPSSSUXVNTC-UHFFFAOYSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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1-amino-3-methylpiperidine-3-carboxylic acid
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acetic acid
CID 158444727
4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine
CID 172838515
piperidin-1-amine;1H-pyrazole-5-carboxylic acid
CID 172745685
acetic acid;hydroxylamine;hydrate
CID 162278428
acetic acid;azane;butane-1,4-diamine;N,N-dimethylmethanamine;1-methylpyrrolidine
CID 173170433
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(2-acetyldiazepan-1-yl)ethanone
CID 100999949
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CID 173070051

Frequently Asked Questions

What is the IUPAC name of acetic acid;pyrrolidin-1-amine?
The IUPAC name of acetic acid;pyrrolidin-1-amine (CID 159894737) is acetic acid;pyrrolidin-1-amine.
What is the SMILES notation for acetic acid;pyrrolidin-1-amine?
The canonical SMILES for acetic acid;pyrrolidin-1-amine is CC(=O)O.NN1CCCC1.
What is the InChIKey of acetic acid;pyrrolidin-1-amine?
The InChIKey is NVEUPSSSUXVNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4O2/c5-6-3-1-2-4-6;1-2(3)4/h1-5H2;1H3,(H,3,4).
What are the key properties of acetic acid;pyrrolidin-1-amine?
acetic acid;pyrrolidin-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pyrrolidin-1-amine is sourced from PubChem (CID 159894737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).