(E)-5-methyliminohex-3-en-3-amine

C7H14N2 — CID 171096126

IUPAC(E)-5-methyliminohex-3-en-3-amine
SMILESCC/C(N)=C\C(C)=N\C
InChIInChI=1S/C7H14N2/c1-4-7(8)5-6(2)9-3/h5H,4,8H2,1-3H3/b7-5+,9-6+
InChIKeyXRKHMXYXFHGFBJ-PDTNFJSOSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds2

About (E)-5-methyliminohex-3-en-3-amine

(E)-5-methyliminohex-3-en-3-amine (PubChem CID 171096126) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-5-methyliminohex-3-en-3-amine.

Molecular Properties

Compound Name(E)-5-methyliminohex-3-en-3-amine
PubChem CID171096126
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-5-methyliminohex-3-en-3-amine
SMILESCC/C(N)=C\C(C)=N\C
InChIInChI=1S/C7H14N2/c1-4-7(8)5-6(2)9-3/h5H,4,8H2,1-3H3/b7-5+,9-6+
InChIKeyXRKHMXYXFHGFBJ-PDTNFJSOSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminohex-3-en-2-one
CID 57357968
(Z)-4-amino-2-methyliminohex-3-enoic acid
CID 145463357
(Z)-3-aminopent-2-enoic acid
CID 21472497
(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
CID 178015163
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
CID 149274729
N-butan-2-yl-4-methyliminopent-2-en-2-amine
CID 152732713
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(1E,3Z)-2,4-diaminohexa-1,3-diene-1-thiol
CID 146393049
(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599
(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
CID 174083742
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyliminohex-3-en-3-amine?
The IUPAC name of (E)-5-methyliminohex-3-en-3-amine (CID 171096126) is (E)-5-methyliminohex-3-en-3-amine.
What is the SMILES notation for (E)-5-methyliminohex-3-en-3-amine?
The canonical SMILES for (E)-5-methyliminohex-3-en-3-amine is CC/C(N)=C\C(C)=N\C.
What is the InChIKey of (E)-5-methyliminohex-3-en-3-amine?
The InChIKey is XRKHMXYXFHGFBJ-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(8)5-6(2)9-3/h5H,4,8H2,1-3H3/b7-5+,9-6+.
What are the key properties of (E)-5-methyliminohex-3-en-3-amine?
(E)-5-methyliminohex-3-en-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyliminohex-3-en-3-amine is sourced from PubChem (CID 171096126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).