ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene

C31H61N — CID 170706132

IUPACethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene
SMILESC=C/C=C\C(=C/C)N(CC)CCC(C)C=C.CC.CC.CC=C(C)C.CC=C(CC)CC
InChIInChI=1S/C15H25N.C7H14.C5H10.2C2H6/c1-6-10-11-15(8-3)16(9-4)13-12-14(5)7-2;1-4-7(5-2)6-3;1-4-5(2)3;2*1-2/h6-8,10-11,14H,1-2,9,12-13H2,3-5H3;4H,5-6H2,1-3H3;4H,1-3H3;2*1-2H3/b11-10-,15-8+;;;;
InChIKeyFOAHFLKKODUWFI-DDWAMQJJSA-N
MW447.84 g/mol
LogP10.94
Rot. Bonds10

About ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene

ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene (PubChem CID 170706132) has the molecular formula C31H61N and a molecular weight of 447.84 g/mol. Its IUPAC name is ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene.

Molecular Properties

Compound Nameethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene
PubChem CID170706132
Molecular FormulaC31H61N
Molecular Weight447.84 g/mol
Exact Mass447.48
IUPAC Nameethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene
SMILESC=C/C=C\C(=C/C)N(CC)CCC(C)C=C.CC.CC.CC=C(C)C.CC=C(CC)CC
InChIInChI=1S/C15H25N.C7H14.C5H10.2C2H6/c1-6-10-11-15(8-3)16(9-4)13-12-14(5)7-2;1-4-7(5-2)6-3;1-4-5(2)3;2*1-2/h6-8,10-11,14H,1-2,9,12-13H2,3-5H3;4H,5-6H2,1-3H3;4H,1-3H3;2*1-2H3/b11-10-,15-8+;;;;
InChIKeyFOAHFLKKODUWFI-DDWAMQJJSA-N
XLogP10.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.84
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene?
The IUPAC name of ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene (CID 170706132) is ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene.
What is the SMILES notation for ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene?
The canonical SMILES for ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene is C=C/C=C\C(=C/C)N(CC)CCC(C)C=C.CC.CC.CC=C(C)C.CC=C(CC)CC.
What is the InChIKey of ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene?
The InChIKey is FOAHFLKKODUWFI-DDWAMQJJSA-N. The full InChI is InChI=1S/C15H25N.C7H14.C5H10.2C2H6/c1-6-10-11-15(8-3)16(9-4)13-12-14(5)7-2;1-4-7(5-2)6-3;1-4-5(2)3;2*1-2/h6-8,10-11,14H,1-2,9,12-13H2,3-5H3;4H,5-6H2,1-3H3;4H,1-3H3;2*1-2H3/b11-10-,15-8+;;;;.
What are the key properties of ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene?
ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene has a molecular weight of 447.84 g/mol, XLogP of 10.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene is sourced from PubChem (CID 170706132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).