5-ethyliminoocta-6,7-dien-3-amine

C10H18N2 — CID 163904487

IUPAC5-ethyliminoocta-6,7-dien-3-amine
SMILESC=C=C/C(CC(N)CC)=N\CC
InChIInChI=1S/C10H18N2/c1-4-7-10(12-6-3)8-9(11)5-2/h7,9H,1,5-6,8,11H2,2-3H3/b12-10+
InChIKeyQMTDXYVVYNNSRB-ZRDIBKRKSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds5

About 5-ethyliminoocta-6,7-dien-3-amine

5-ethyliminoocta-6,7-dien-3-amine (PubChem CID 163904487) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-ethyliminoocta-6,7-dien-3-amine.

Molecular Properties

Compound Name5-ethyliminoocta-6,7-dien-3-amine
PubChem CID163904487
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-ethyliminoocta-6,7-dien-3-amine
SMILESC=C=C/C(CC(N)CC)=N\CC
InChIInChI=1S/C10H18N2/c1-4-7-10(12-6-3)8-9(11)5-2/h7,9H,1,5-6,8,11H2,2-3H3/b12-10+
InChIKeyQMTDXYVVYNNSRB-ZRDIBKRKSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
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

3-Iminonona-1,7,8-trien-4-amine
CID 90802406
1-(Propylideneamino)octa-6,7-dien-4-amine
CID 57011321
4-(Propylideneamino)octa-6,7-dien-1-amine
CID 57187107
N-ethyl-3-methyliminooct-1-en-4-amine
CID 123344021
N-methyl-4-methyliminohex-5-en-3-amine
CID 123612125
5-Iminohept-6-en-2-amine
CID 123625298
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
2-(Hept-6-en-3-ylideneamino)butan-1-amine
CID 123875746
Ethene;3-methyliminopent-4-en-1-amine
CID 144855770
(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine
CID 166949543
3-Methyliminopent-4-en-1-amine
CID 144855771

Frequently Asked Questions

What is the IUPAC name of 5-ethyliminoocta-6,7-dien-3-amine?
The IUPAC name of 5-ethyliminoocta-6,7-dien-3-amine (CID 163904487) is 5-ethyliminoocta-6,7-dien-3-amine.
What is the SMILES notation for 5-ethyliminoocta-6,7-dien-3-amine?
The canonical SMILES for 5-ethyliminoocta-6,7-dien-3-amine is C=C=C/C(CC(N)CC)=N\CC.
What is the InChIKey of 5-ethyliminoocta-6,7-dien-3-amine?
The InChIKey is QMTDXYVVYNNSRB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-7-10(12-6-3)8-9(11)5-2/h7,9H,1,5-6,8,11H2,2-3H3/b12-10+.
What are the key properties of 5-ethyliminoocta-6,7-dien-3-amine?
5-ethyliminoocta-6,7-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyliminoocta-6,7-dien-3-amine is sourced from PubChem (CID 163904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).