[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate

C7H14N2O — CID 129200507

IUPAC[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate
SMILES[H]/N=C/OC(C)/C=C(\C)NC
InChIInChI=1S/C7H14N2O/c1-6(9-3)4-7(2)10-5-8/h4-5,7-9H,1-3H3/b6-4+,8-5+
InChIKeyVQHADMMMNPIMTC-HLQBBKRNSA-N
MW142.20 g/mol
LogP1.12
Rot. Bonds4

About [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate

[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate (PubChem CID 129200507) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate.

Molecular Properties

Compound Name[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate
PubChem CID129200507
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate
SMILES[H]/N=C/OC(C)/C=C(\C)NC
InChIInChI=1S/C7H14N2O/c1-6(9-3)4-7(2)10-5-8/h4-5,7-9H,1-3H3/b6-4+,8-5+
InChIKeyVQHADMMMNPIMTC-HLQBBKRNSA-N
XLogP1.12
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methylprop-1-enyl methanimidate
CID 143570958
(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
CID 174281685
hexan-2-yl methanimidate
CID 123742650
(NE)-N-[(Z)-3-amino-5-(methylamino)hex-4-en-2-ylidene]hydroxylamine
CID 172961329
[hydroxy(pyridin-4-yl)methyl] methanimidate
CID 163457018
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(Z)-2-methanimidoyl-3-(methylamino)-3-(2-methylpropoxy)prop-2-enoic acid
CID 143664817
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
methanimidoyl 2-propan-2-ylbut-3-enoate
CID 163575010
N-(1-methoxyethyliminomethyl)ethanimidamide
CID 176529079
methoxy methanimidate;2-methylbutane
CID 91144253
(Z)-2-methanimidoyl-3-(2-methylprop-2-enoxy)-3-(propan-2-ylamino)prop-2-enamide
CID 163605902

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate?
The IUPAC name of [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate (CID 129200507) is [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate.
What is the SMILES notation for [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate?
The canonical SMILES for [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate is [H]/N=C/OC(C)/C=C(\C)NC.
What is the InChIKey of [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate?
The InChIKey is VQHADMMMNPIMTC-HLQBBKRNSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(9-3)4-7(2)10-5-8/h4-5,7-9H,1-3H3/b6-4+,8-5+.
What are the key properties of [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate?
[(E)-4-(methylamino)pent-3-en-2-yl] methanimidate has a molecular weight of 142.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(methylamino)pent-3-en-2-yl] methanimidate is sourced from PubChem (CID 129200507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).