ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane

C14H29N — CID 143110013

IUPACethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane
SMILESC=C/C=C(\C=C)C(C)CN.CC.CCC
InChIInChI=1S/C9H15N.C3H8.C2H6/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H2,1-2H3;1-2H3/b9-6+;;
InChIKeyQSFDQJAHZKXZEZ-SWSRPJROSA-N
MW211.39 g/mol
LogP4.32
Rot. Bonds4

About ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane

ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane (PubChem CID 143110013) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane.

Molecular Properties

Compound Nameethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane
PubChem CID143110013
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane
SMILESC=C/C=C(\C=C)C(C)CN.CC.CCC
InChIInChI=1S/C9H15N.C3H8.C2H6/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H2,1-2H3;1-2H3/b9-6+;;
InChIKeyQSFDQJAHZKXZEZ-SWSRPJROSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 86574471
Dihydrobenzylamine
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3,4-Dihydrophenylethyl-amine
CID 21074092
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
2-Buta-1,3-dienylbutane-1,4-diamine
CID 123937470
2-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89024296
(Z)-2-ethyl-5-fluorohex-3-en-1-amine
CID 89090863
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
2-[(4R)-4-fluoro-3-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 89191433
(1-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 89270262
(Z,3Z)-3-(2-fluoroethylidene)hept-4-en-1-amine
CID 89295784
(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine
CID 89296028

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane?
The IUPAC name of ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane (CID 143110013) is ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane.
What is the SMILES notation for ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane?
The canonical SMILES for ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane is C=C/C=C(\C=C)C(C)CN.CC.CCC.
What is the InChIKey of ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane?
The InChIKey is QSFDQJAHZKXZEZ-SWSRPJROSA-N. The full InChI is InChI=1S/C9H15N.C3H8.C2H6/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H2,1-2H3;1-2H3/b9-6+;;.
What are the key properties of ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane?
ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane has a molecular weight of 211.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane is sourced from PubChem (CID 143110013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).