1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine

C12H25N3 — CID 91539250

IUPAC1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
SMILES[H]/N=C(\C=C(C)C)C(N)CCCCNCC
InChIInChI=1S/C12H25N3/c1-4-15-8-6-5-7-11(13)12(14)9-10(2)3/h9,11,14-15H,4-8,13H2,1-3H3/b14-12+
InChIKeyDVYPQUDEDMJQPI-WYMLVPIESA-N
MW211.35 g/mol
LogP2.08
Rot. Bonds8

About 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine

1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine (PubChem CID 91539250) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine.

Molecular Properties

Compound Name1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
PubChem CID91539250
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
SMILES[H]/N=C(\C=C(C)C)C(N)CCCCNCC
InChIInChI=1S/C12H25N3/c1-4-15-8-6-5-7-11(13)12(14)9-10(2)3/h9,11,14-15H,4-8,13H2,1-3H3/b14-12+
InChIKeyDVYPQUDEDMJQPI-WYMLVPIESA-N
XLogP2.08
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(4Z)-4-propylidenepiperidin-3-imine
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N-ethyl-3-methyliminooct-1-en-4-amine
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3-Methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
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5-[2-(Ethylamino)ethylimino]-3-methylcyclohex-3-en-1-amine
CID 123522911
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
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8-Methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine
CID 123650028
N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
CID 129214843
(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine
CID 129300667
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CID 130217424

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine?
The IUPAC name of 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine (CID 91539250) is 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine.
What is the SMILES notation for 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine?
The canonical SMILES for 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine is [H]/N=C(\C=C(C)C)C(N)CCCCNCC.
What is the InChIKey of 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine?
The InChIKey is DVYPQUDEDMJQPI-WYMLVPIESA-N. The full InChI is InChI=1S/C12H25N3/c1-4-15-8-6-5-7-11(13)12(14)9-10(2)3/h9,11,14-15H,4-8,13H2,1-3H3/b14-12+.
What are the key properties of 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine?
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine has a molecular weight of 211.35 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine is sourced from PubChem (CID 91539250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).