1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine

C13H19N3 — CID 167081446

IUPAC1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine
SMILESC=C(N)NC(=C)NCCC#CC#CCCC
InChIInChI=1S/C13H19N3/c1-4-5-6-7-8-9-10-11-15-13(3)16-12(2)14/h15-16H,2-5,10-11,14H2,1H3
InChIKeyAVCBZHCJTOGNIU-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.26
Rot. Bonds6

About 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine

1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine (PubChem CID 167081446) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine
PubChem CID167081446
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine
SMILESC=C(N)NC(=C)NCCC#CC#CCCC
InChIInChI=1S/C13H19N3/c1-4-5-6-7-8-9-10-11-15-13(3)16-12(2)14/h15-16H,2-5,10-11,14H2,1H3
InChIKeyAVCBZHCJTOGNIU-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octa-2,4-diynoate
CID 5247370
butane;N-[8-(butan-2-ylamino)octa-3,5-diynyl]acetamide;molecular hydrogen
CID 171540494
1-N'-but-1-en-2-ylethene-1,1-diamine
CID 166131853
2-(deca-4,6-diynoylamino)ethyl-trimethylazanium
CID 118885282
hexadeca-9,11-diyn-1-ol
CID 24975633
1-N'-butyl-1-N-methylethene-1,1-diamine;methane
CID 159003501
hexadeca-4,6,10,12-tetraynoic acid
CID 168864619
2-nona-3,5-diynylpropanedioic acid
CID 139974254
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
ethanol;hexadeca-5,7-diynamide
CID 87990154
6-methylidenenon-4-yne
CID 15584278
undeca-3,5-diyn-1-ol
CID 15306342

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine (CID 167081446) is 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine is C=C(N)NC(=C)NCCC#CC#CCCC.
What is the InChIKey of 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine?
The InChIKey is AVCBZHCJTOGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-5-6-7-8-9-10-11-15-13(3)16-12(2)14/h15-16H,2-5,10-11,14H2,1H3.
What are the key properties of 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine?
1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(nona-3,5-diynylamino)ethenyl]ethene-1,1-diamine is sourced from PubChem (CID 167081446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).