7,7-bis(ethenyl)nona-1,8-dien-3-amine

C13H21N — CID 172914372

IUPAC7,7-bis(ethenyl)nona-1,8-dien-3-amine
SMILESC=CC(N)CCCC(C=C)(C=C)C=C
InChIInChI=1S/C13H21N/c1-5-12(14)10-9-11-13(6-2,7-3)8-4/h5-8,12H,1-4,9-11,14H2
InChIKeyYPOQKSPKXVYYKZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.21
Rot. Bonds8

About 7,7-bis(ethenyl)nona-1,8-dien-3-amine

7,7-bis(ethenyl)nona-1,8-dien-3-amine (PubChem CID 172914372) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 7,7-bis(ethenyl)nona-1,8-dien-3-amine.

Molecular Properties

Compound Name7,7-bis(ethenyl)nona-1,8-dien-3-amine
PubChem CID172914372
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name7,7-bis(ethenyl)nona-1,8-dien-3-amine
SMILESC=CC(N)CCCC(C=C)(C=C)C=C
InChIInChI=1S/C13H21N/c1-5-12(14)10-9-11-13(6-2,7-3)8-4/h5-8,12H,1-4,9-11,14H2
InChIKeyYPOQKSPKXVYYKZ-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(ethenyl)nona-1,8-dien-3-amine?
The IUPAC name of 7,7-bis(ethenyl)nona-1,8-dien-3-amine (CID 172914372) is 7,7-bis(ethenyl)nona-1,8-dien-3-amine.
What is the SMILES notation for 7,7-bis(ethenyl)nona-1,8-dien-3-amine?
The canonical SMILES for 7,7-bis(ethenyl)nona-1,8-dien-3-amine is C=CC(N)CCCC(C=C)(C=C)C=C.
What is the InChIKey of 7,7-bis(ethenyl)nona-1,8-dien-3-amine?
The InChIKey is YPOQKSPKXVYYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-12(14)10-9-11-13(6-2,7-3)8-4/h5-8,12H,1-4,9-11,14H2.
What are the key properties of 7,7-bis(ethenyl)nona-1,8-dien-3-amine?
7,7-bis(ethenyl)nona-1,8-dien-3-amine has a molecular weight of 191.32 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(ethenyl)nona-1,8-dien-3-amine is sourced from PubChem (CID 172914372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).