ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

C20H38N2 — CID 143346157

IUPACethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N.CC.CC
InChIInChI=1S/C16H26N2.2C2H6/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17;2*1-2/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3;2*1-2H3/b11-9+,18-16+;;
InChIKeyPXAPAKVOFDNORV-PLKMDLKESA-N
MW306.54 g/mol
LogP6.08
Rot. Bonds9

About ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine

ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 143346157) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
PubChem CID143346157
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Nameethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
SMILESC=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N.CC.CC
InChIInChI=1S/C16H26N2.2C2H6/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17;2*1-2/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3;2*1-2H3/b11-9+,18-16+;;
InChIKeyPXAPAKVOFDNORV-PLKMDLKESA-N
XLogP6.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
CID 134525287
(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine
CID 135254647
ethanamine;4-methylheptane;(E)-3-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 141877387
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
CID 143343425
acetonitrile;3-[[(3E,10Z)-8,9-dimethyldodeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346049
(2Z,4E)-1-cyclohexyl-N,4,5-trimethylhepta-2,4-dien-1-imine;(1Z,3Z)-penta-1,3-diene-1,4-diamine
CID 144928597
(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine
CID 155014926
5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine
CID 167058856
(Z)-5-[(3Z)-5-ethylocta-3,7-dienyl]imino-2-methylhex-3-en-3-amine
CID 169948600
(11Z,13Z)-8-[[(1E,4Z,6Z)-cycloocta-1,4,6-trien-1-yl]methylimino]-13-methyl-10-methylidene-5-[(Z)-prop-1-enyl]pentadeca-1,6,11,13-tetraen-6-amine
CID 173922720
(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine
CID 175632558
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine
CID 143343426

Frequently Asked Questions

What is the IUPAC name of ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine (CID 143346157) is ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is C=CC(=C)C(C)CCC/C=C/C(C)=N/CC(=C)N.CC.CC.
What is the InChIKey of ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is PXAPAKVOFDNORV-PLKMDLKESA-N. The full InChI is InChI=1S/C16H26N2.2C2H6/c1-6-13(2)14(3)10-8-7-9-11-16(5)18-12-15(4)17;2*1-2/h6,9,11,14H,1-2,4,7-8,10,12,17H2,3,5H3;2*1-2H3/b11-9+,18-16+;;.
What are the key properties of ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine?
ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 306.54 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 143346157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).