7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine

C17H31N3 — CID 123172137

IUPAC7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
SMILES[H]/N=C(\C(=C)C)C(CCCCCN)C(CC=CC)/C(C)=N/[H]
InChIInChI=1S/C17H31N3/c1-5-6-10-15(14(4)19)16(17(20)13(2)3)11-8-7-9-12-18/h5-6,15-16,19-20H,2,7-12,18H2,1,3-4H3/b6-5?,19-14+,20-17+
InChIKeyNBTPCGUSCNVVIO-MMINTSMZSA-N
MW277.46 g/mol
LogP4.34
Rot. Bonds11

About 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine

7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine (PubChem CID 123172137) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine.

Molecular Properties

Compound Name7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
PubChem CID123172137
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
SMILES[H]/N=C(\C(=C)C)C(CCCCCN)C(CC=CC)/C(C)=N/[H]
InChIInChI=1S/C17H31N3/c1-5-6-10-15(14(4)19)16(17(20)13(2)3)11-8-7-9-12-18/h5-6,15-16,19-20H,2,7-12,18H2,1,3-4H3/b6-5?,19-14+,20-17+
InChIKeyNBTPCGUSCNVVIO-MMINTSMZSA-N
XLogP4.34
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,6E,8E)-6-ethanimidoyl-4-fluoro-11-methyl-3-propyldodeca-4,6,8,10-tetraen-2-amine
CID 167083150
6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
9-Dodecanimidoyl-10-imino-9-nonylpentacos-6-en-1-amine
CID 57047580
3-Cyclohexa-1,5-dien-1-yl-1-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-3-iminopropan-1-amine
CID 88580795
(9Z)-3-ethyl-4-imino-9-[3-(4-oct-1-en-3-yl-2,3-dihydronaphthalen-1-yl)propyl]dodeca-9,11-dien-1-amine
CID 88933574
(E)-10-methanimidoyl-2,7,7,9,12-pentamethyltridec-4-ene-1,12-diamine
CID 89050567
2-Imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
CID 89074104
2-imino-2-[(6S)-6-methylcyclohex-3-en-1-yl]ethanamine
CID 89153885
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
CID 90917683
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
8-Imino-7,9-dimethyldec-9-en-2-amine
CID 91580309

Frequently Asked Questions

What is the IUPAC name of 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine?
The IUPAC name of 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine (CID 123172137) is 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine.
What is the SMILES notation for 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine?
The canonical SMILES for 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine is [H]/N=C(\C(=C)C)C(CCCCCN)C(CC=CC)/C(C)=N/[H].
What is the InChIKey of 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine?
The InChIKey is NBTPCGUSCNVVIO-MMINTSMZSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-6-10-15(14(4)19)16(17(20)13(2)3)11-8-7-9-12-18/h5-6,15-16,19-20H,2,7-12,18H2,1,3-4H3/b6-5?,19-14+,20-17+.
What are the key properties of 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine?
7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.34, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine is sourced from PubChem (CID 123172137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).