ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine

C14H31N3 — CID 142275000

IUPACethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine
SMILESCC.CNCCCN.[H]/N=C/C/C(C)=C/C=C\C
InChIInChI=1S/C8H13N.C4H12N2.C2H6/c1-3-4-5-8(2)6-7-9;1-6-4-2-3-5;1-2/h3-5,7,9H,6H2,1-2H3;6H,2-5H2,1H3;1-2H3/b4-3-,8-5+,9-7+;;
InChIKeyUDSRMPUWTPZRJJ-QZQGEVBUSA-N
MW241.42 g/mol
LogP3.13
Rot. Bonds6

About ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine

ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine (PubChem CID 142275000) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Nameethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine
PubChem CID142275000
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Nameethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine
SMILESCC.CNCCCN.[H]/N=C/C/C(C)=C/C=C\C
InChIInChI=1S/C8H13N.C4H12N2.C2H6/c1-3-4-5-8(2)6-7-9;1-6-4-2-3-5;1-2/h3-5,7,9H,6H2,1-2H3;6H,2-5H2,1H3;1-2H3/b4-3-,8-5+,9-7+;;
InChIKeyUDSRMPUWTPZRJJ-QZQGEVBUSA-N
XLogP3.13
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.13
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine?
The IUPAC name of ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine (CID 142275000) is ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine.
What is the SMILES notation for ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine?
The canonical SMILES for ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine is CC.CNCCCN.[H]/N=C/C/C(C)=C/C=C\C.
What is the InChIKey of ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine?
The InChIKey is UDSRMPUWTPZRJJ-QZQGEVBUSA-N. The full InChI is InChI=1S/C8H13N.C4H12N2.C2H6/c1-3-4-5-8(2)6-7-9;1-6-4-2-3-5;1-2/h3-5,7,9H,6H2,1-2H3;6H,2-5H2,1H3;1-2H3/b4-3-,8-5+,9-7+;;.
What are the key properties of ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine?
ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine is sourced from PubChem (CID 142275000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).