(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine

C9H18N2 — CID 142029978

IUPAC(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
SMILESCC/C(C)=C(\C=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+
InChIKeyIUTCICWTNYPCBH-DGLUDJRXSA-N
MW154.26 g/mol
LogP1.93
Rot. Bonds3

About (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine

(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine (PubChem CID 142029978) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
PubChem CID142029978
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
SMILESCC/C(C)=C(\C=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+
InChIKeyIUTCICWTNYPCBH-DGLUDJRXSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(Z)-2-fluoro-3-methyl-N-(3-methylbut-2-en-2-yl)pent-2-en-1-imine
CID 141877091
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
2,3-Di(propan-2-yl)-5-propan-2-ylidenepyrazin-4-ide
CID 91117590
N-(2,4,4-trimethylpent-2-en-3-yl)ethanimine
CID 137422713
(Z)-N,N,3-trimethyl-2-(methyliminomethyl)pent-2-en-1-amine
CID 142050923
ethane;N-[(Z)-3-methylpent-2-en-2-yl]ethanimine
CID 144191315
ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine
CID 144575382
3-Methyl-1-propan-2-yliminopent-2-en-2-amine
CID 151174112
ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine
CID 153364345
(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 155282314

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine (CID 142029978) is (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine is CC/C(C)=C(\C=N\C)N(C)C.
What is the InChIKey of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The InChIKey is IUTCICWTNYPCBH-DGLUDJRXSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+.
What are the key properties of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine is sourced from PubChem (CID 142029978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).