tricos-1-ene-1,1-diamine

C23H48N2 — CID 141373485

IUPACtricos-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCC=C(N)N
InChIInChI=1S/C23H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h22H,2-21,24-25H2,1H3
InChIKeyBLRDVLRXCYHIIQ-UHFFFAOYSA-N
MW352.65 g/mol
LogP7.57
Rot. Bonds20

About tricos-1-ene-1,1-diamine

tricos-1-ene-1,1-diamine (PubChem CID 141373485) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is tricos-1-ene-1,1-diamine.

Molecular Properties

Compound Nametricos-1-ene-1,1-diamine
PubChem CID141373485
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Nametricos-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCC=C(N)N
InChIInChI=1S/C23H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h22H,2-21,24-25H2,1H3
InChIKeyBLRDVLRXCYHIIQ-UHFFFAOYSA-N
XLogP7.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.57
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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Related Compounds

sodium;hydrogen sulfite;oct-1-ene-1,1-diamine
CID 86751100
undec-3-en-3-amine
CID 151904505
1-chlorooctadec-1-en-1-amine
CID 173460084
(E)-oct-2-en-2-amine
CID 87259480
(E)-octadec-9-en-9-amine
CID 146566069
undec-1-ene-1,1-diol
CID 87556705
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
1,1-diiodonon-1-ene
CID 141002826
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
1,1-dibromotridec-1-ene
CID 14681915

Frequently Asked Questions

What is the IUPAC name of tricos-1-ene-1,1-diamine?
The IUPAC name of tricos-1-ene-1,1-diamine (CID 141373485) is tricos-1-ene-1,1-diamine.
What is the SMILES notation for tricos-1-ene-1,1-diamine?
The canonical SMILES for tricos-1-ene-1,1-diamine is CCCCCCCCCCCCCCCCCCCCCC=C(N)N.
What is the InChIKey of tricos-1-ene-1,1-diamine?
The InChIKey is BLRDVLRXCYHIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h22H,2-21,24-25H2,1H3.
What are the key properties of tricos-1-ene-1,1-diamine?
tricos-1-ene-1,1-diamine has a molecular weight of 352.65 g/mol, XLogP of 7.57, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-1-ene-1,1-diamine is sourced from PubChem (CID 141373485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).