3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine

C15H28N2 — CID 90864171

IUPAC3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine
SMILESC=CC(=CC=CC)C(CN)N(CCC)CCC
InChIInChI=1S/C15H28N2/c1-5-9-10-14(8-4)15(13-16)17(11-6-2)12-7-3/h5,8-10,15H,4,6-7,11-13,16H2,1-3H3
InChIKeyYDWDOPNBQUIFRX-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.12
Rot. Bonds9

About 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine

3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine (PubChem CID 90864171) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine
PubChem CID90864171
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine
SMILESC=CC(=CC=CC)C(CN)N(CCC)CCC
InChIInChI=1S/C15H28N2/c1-5-9-10-14(8-4)15(13-16)17(11-6-2)12-7-3/h5,8-10,15H,4,6-7,11-13,16H2,1-3H3
InChIKeyYDWDOPNBQUIFRX-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine?
The IUPAC name of 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine (CID 90864171) is 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine.
What is the SMILES notation for 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine?
The canonical SMILES for 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine is C=CC(=CC=CC)C(CN)N(CCC)CCC.
What is the InChIKey of 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine?
The InChIKey is YDWDOPNBQUIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-9-10-14(8-4)15(13-16)17(11-6-2)12-7-3/h5,8-10,15H,4,6-7,11-13,16H2,1-3H3.
What are the key properties of 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine?
3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine is sourced from PubChem (CID 90864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).