1-N-prop-1-enylocta-6,7-diene-1,4-diamine

C11H20N2 — CID 54066387

IUPAC1-N-prop-1-enylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)CCCNC=CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h4-5,9,11,13H,1,6-8,10,12H2,2H3
InChIKeyMDHGNCVEAKLTJP-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.95
Rot. Bonds7

About 1-N-prop-1-enylocta-6,7-diene-1,4-diamine

1-N-prop-1-enylocta-6,7-diene-1,4-diamine (PubChem CID 54066387) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N-prop-1-enylocta-6,7-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-prop-1-enylocta-6,7-diene-1,4-diamine
PubChem CID54066387
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N-prop-1-enylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)CCCNC=CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h4-5,9,11,13H,1,6-8,10,12H2,2H3
InChIKeyMDHGNCVEAKLTJP-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-prop-1-enylocta-6,7-diene-1,4-diamine?
The IUPAC name of 1-N-prop-1-enylocta-6,7-diene-1,4-diamine (CID 54066387) is 1-N-prop-1-enylocta-6,7-diene-1,4-diamine.
What is the SMILES notation for 1-N-prop-1-enylocta-6,7-diene-1,4-diamine?
The canonical SMILES for 1-N-prop-1-enylocta-6,7-diene-1,4-diamine is C=C=CCC(N)CCCNC=CC.
What is the InChIKey of 1-N-prop-1-enylocta-6,7-diene-1,4-diamine?
The InChIKey is MDHGNCVEAKLTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h4-5,9,11,13H,1,6-8,10,12H2,2H3.
What are the key properties of 1-N-prop-1-enylocta-6,7-diene-1,4-diamine?
1-N-prop-1-enylocta-6,7-diene-1,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-1-enylocta-6,7-diene-1,4-diamine is sourced from PubChem (CID 54066387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).