3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine

C14H26N2 — CID 90691312

IUPAC3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
SMILES[H]/N=C(\C)C(C)CC=C(CC=CC)CCNC
InChIInChI=1S/C14H26N2/c1-5-6-7-14(10-11-16-4)9-8-12(2)13(3)15/h5-6,9,12,15-16H,7-8,10-11H2,1-4H3/b6-5?,14-9?,15-13+
InChIKeyMAIMCYFOOQYIBQ-FVBDTWFPSA-N
MW222.38 g/mol
LogP3.55
Rot. Bonds8

About 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine

3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine (PubChem CID 90691312) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine.

Molecular Properties

Compound Name3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
PubChem CID90691312
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
SMILES[H]/N=C(\C)C(C)CC=C(CC=CC)CCNC
InChIInChI=1S/C14H26N2/c1-5-6-7-14(10-11-16-4)9-8-12(2)13(3)15/h5-6,9,12,15-16H,7-8,10-11H2,1-4H3/b6-5?,14-9?,15-13+
InChIKeyMAIMCYFOOQYIBQ-FVBDTWFPSA-N
XLogP3.55
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-ethanimidoyl-N-ethylpent-4-en-2-amine
CID 88890724
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
3-imino-N-methyl-2-propylpent-4-en-1-amine
CID 123469226
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
CID 123745497
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
(E)-6-(C,N-dimethylcarbonimidoyl)-N'-ethyl-5-imino-N-methyl-2-[(Z)-prop-1-enyl]hept-3-ene-1,7-diamine
CID 132038459

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine?
The IUPAC name of 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine (CID 90691312) is 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine.
What is the SMILES notation for 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine?
The canonical SMILES for 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine is [H]/N=C(\C)C(C)CC=C(CC=CC)CCNC.
What is the InChIKey of 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine?
The InChIKey is MAIMCYFOOQYIBQ-FVBDTWFPSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-7-14(10-11-16-4)9-8-12(2)13(3)15/h5-6,9,12,15-16H,7-8,10-11H2,1-4H3/b6-5?,14-9?,15-13+.
What are the key properties of 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine?
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine is sourced from PubChem (CID 90691312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).