4-[amino(methyl)amino]-4-methylpent-1-en-3-one

C7H14N2O — CID 174600762

IUPAC4-[amino(methyl)amino]-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)(C)N(C)N
InChIInChI=1S/C7H14N2O/c1-5-6(10)7(2,3)9(4)8/h5H,1,8H2,2-4H3
InChIKeyPULGUQZFHOSZJG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.33
Rot. Bonds3

About 4-[amino(methyl)amino]-4-methylpent-1-en-3-one

4-[amino(methyl)amino]-4-methylpent-1-en-3-one (PubChem CID 174600762) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name4-[amino(methyl)amino]-4-methylpent-1-en-3-one
PubChem CID174600762
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-[amino(methyl)amino]-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)(C)N(C)N
InChIInChI=1S/C7H14N2O/c1-5-6(10)7(2,3)9(4)8/h5H,1,8H2,2-4H3
InChIKeyPULGUQZFHOSZJG-UHFFFAOYSA-N
XLogP0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoropent-1-en-3-one
CID 89392918
(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
CID 150100333
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
sodium 2-(dimethylamino)-3-oxopent-4-ene-2-sulfonate
CID 141373046
2-methyl-3-oxopent-4-ene-2-sulfonic acid
CID 140997658
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-4-methylpent-1-en-3-one?
The IUPAC name of 4-[amino(methyl)amino]-4-methylpent-1-en-3-one (CID 174600762) is 4-[amino(methyl)amino]-4-methylpent-1-en-3-one.
What is the SMILES notation for 4-[amino(methyl)amino]-4-methylpent-1-en-3-one?
The canonical SMILES for 4-[amino(methyl)amino]-4-methylpent-1-en-3-one is C=CC(=O)C(C)(C)N(C)N.
What is the InChIKey of 4-[amino(methyl)amino]-4-methylpent-1-en-3-one?
The InChIKey is PULGUQZFHOSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-6(10)7(2,3)9(4)8/h5H,1,8H2,2-4H3.
What are the key properties of 4-[amino(methyl)amino]-4-methylpent-1-en-3-one?
4-[amino(methyl)amino]-4-methylpent-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-4-methylpent-1-en-3-one is sourced from PubChem (CID 174600762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).