ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine

C18H35N — CID 172581910

IUPACethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine
SMILESC=C/C(=C\N(C)C(=C)C)CC(CC)CCCC.CC
InChIInChI=1S/C16H29N.C2H6/c1-7-10-11-15(8-2)12-16(9-3)13-17(6)14(4)5;1-2/h9,13,15H,3-4,7-8,10-12H2,1-2,5-6H3;1-2H3/b16-13+;
InChIKeyVYTZAPHAVXFLGI-ZUQRMPMESA-N
MW265.48 g/mol
LogP6.15
Rot. Bonds9

About ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine

ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine (PubChem CID 172581910) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine
PubChem CID172581910
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine
SMILESC=C/C(=C\N(C)C(=C)C)CC(CC)CCCC.CC
InChIInChI=1S/C16H29N.C2H6/c1-7-10-11-15(8-2)12-16(9-3)13-17(6)14(4)5;1-2/h9,13,15H,3-4,7-8,10-12H2,1-2,5-6H3;1-2H3/b16-13+;
InChIKeyVYTZAPHAVXFLGI-ZUQRMPMESA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-ethyloct-1-ene
CID 129373406
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
5-ethyl-2-methylnon-1-ene
CID 23205953
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
7-ethyl-2-methylundec-1-en-5-one
CID 139807060
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
ethane;3-methylheptane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217493
ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
2-hydroxypropyl 4-ethyl-2-methylideneoctanoate;prop-2-enoic acid
CID 88764212
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
bis(4-ethyl-2-methylideneoctanoyl) (Z)-but-2-enedioate
CID 87087693

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine (CID 172581910) is ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine is C=C/C(=C\N(C)C(=C)C)CC(CC)CCCC.CC.
What is the InChIKey of ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine?
The InChIKey is VYTZAPHAVXFLGI-ZUQRMPMESA-N. The full InChI is InChI=1S/C16H29N.C2H6/c1-7-10-11-15(8-2)12-16(9-3)13-17(6)14(4)5;1-2/h9,13,15H,3-4,7-8,10-12H2,1-2,5-6H3;1-2H3/b16-13+;.
What are the key properties of ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine?
ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethenyl-4-ethyl-N-methyl-N-prop-1-en-2-yloct-1-en-1-amine is sourced from PubChem (CID 172581910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).