ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine

C14H31N — CID 144808734

IUPACethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine
SMILESC/C=C/CC/C=C/NCCC.CC.CC
InChIInChI=1S/C10H19N.2C2H6/c1-3-5-6-7-8-10-11-9-4-2;2*1-2/h3,5,8,10-11H,4,6-7,9H2,1-2H3;2*1-2H3/b5-3+,10-8+;;
InChIKeyTYBMOJVMQKECTB-HLDVTAADSA-N
MW213.41 g/mol
LogP4.91
Rot. Bonds6

About ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine

ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine (PubChem CID 144808734) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine
PubChem CID144808734
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine
SMILESC/C=C/CC/C=C/NCCC.CC.CC
InChIInChI=1S/C10H19N.2C2H6/c1-3-5-6-7-8-10-11-9-4-2;2*1-2/h3,5,8,10-11H,4,6-7,9H2,1-2H3;2*1-2H3/b5-3+,10-8+;;
InChIKeyTYBMOJVMQKECTB-HLDVTAADSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine?
The IUPAC name of ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine (CID 144808734) is ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine.
What is the SMILES notation for ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine?
The canonical SMILES for ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine is C/C=C/CC/C=C/NCCC.CC.CC.
What is the InChIKey of ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine?
The InChIKey is TYBMOJVMQKECTB-HLDVTAADSA-N. The full InChI is InChI=1S/C10H19N.2C2H6/c1-3-5-6-7-8-10-11-9-4-2;2*1-2/h3,5,8,10-11H,4,6-7,9H2,1-2H3;2*1-2H3/b5-3+,10-8+;;.
What are the key properties of ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine?
ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,5E)-N-propylhepta-1,5-dien-1-amine is sourced from PubChem (CID 144808734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).