N-ethyl-3-methyliminooct-1-en-4-amine

C11H22N2 — CID 123344021

IUPACN-ethyl-3-methyliminooct-1-en-4-amine
SMILESC=C/C(=N\C)C(CCCC)NCC
InChIInChI=1S/C11H22N2/c1-5-8-9-11(13-7-3)10(6-2)12-4/h6,11,13H,2,5,7-9H2,1,3-4H3/b12-10+
InChIKeyZXMJONWXSGZPQS-ZRDIBKRKSA-N
MW182.31 g/mol
LogP2.41
Rot. Bonds7

About N-ethyl-3-methyliminooct-1-en-4-amine

N-ethyl-3-methyliminooct-1-en-4-amine (PubChem CID 123344021) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-3-methyliminooct-1-en-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyliminooct-1-en-4-amine
PubChem CID123344021
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-3-methyliminooct-1-en-4-amine
SMILESC=C/C(=N\C)C(CCCC)NCC
InChIInChI=1S/C11H22N2/c1-5-8-9-11(13-7-3)10(6-2)12-4/h6,11,13H,2,5,7-9H2,1,3-4H3/b12-10+
InChIKeyZXMJONWXSGZPQS-ZRDIBKRKSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.41
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-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
4-cycloundecylimino-N-propylcyclobut-2-en-1-amine
CID 91140505
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
CID 123196625
N-methyl-1-piperidin-2-ylprop-2-en-1-imine
CID 123359089
N-methyl-4-methyliminohex-5-en-3-amine
CID 123612125
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
1-Piperidin-2-ylprop-2-en-1-imine
CID 124036181
N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
CID 129214843
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
CID 155735826
5-Ethyliminoocta-6,7-dien-3-amine
CID 163904487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyliminooct-1-en-4-amine?
The IUPAC name of N-ethyl-3-methyliminooct-1-en-4-amine (CID 123344021) is N-ethyl-3-methyliminooct-1-en-4-amine.
What is the SMILES notation for N-ethyl-3-methyliminooct-1-en-4-amine?
The canonical SMILES for N-ethyl-3-methyliminooct-1-en-4-amine is C=C/C(=N\C)C(CCCC)NCC.
What is the InChIKey of N-ethyl-3-methyliminooct-1-en-4-amine?
The InChIKey is ZXMJONWXSGZPQS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-8-9-11(13-7-3)10(6-2)12-4/h6,11,13H,2,5,7-9H2,1,3-4H3/b12-10+.
What are the key properties of N-ethyl-3-methyliminooct-1-en-4-amine?
N-ethyl-3-methyliminooct-1-en-4-amine has a molecular weight of 182.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyliminooct-1-en-4-amine is sourced from PubChem (CID 123344021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).