henicos-9-en-1-amine

C21H43N — CID 154097370

IUPAChenicos-9-en-1-amine
SMILESCCCCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h12-13H,2-11,14-22H2,1H3
InChIKeyYGYFOUUGXKUMMB-UHFFFAOYSA-N
MW309.58 g/mol
LogP7.15
Rot. Bonds18

About henicos-9-en-1-amine

henicos-9-en-1-amine (PubChem CID 154097370) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is henicos-9-en-1-amine.

Molecular Properties

Compound Namehenicos-9-en-1-amine
PubChem CID154097370
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Namehenicos-9-en-1-amine
SMILESCCCCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h12-13H,2-11,14-22H2,1H3
InChIKeyYGYFOUUGXKUMMB-UHFFFAOYSA-N
XLogP7.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718
hexadec-4-en-1-amine
CID 123939288
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752

Frequently Asked Questions

What is the IUPAC name of henicos-9-en-1-amine?
The IUPAC name of henicos-9-en-1-amine (CID 154097370) is henicos-9-en-1-amine.
What is the SMILES notation for henicos-9-en-1-amine?
The canonical SMILES for henicos-9-en-1-amine is CCCCCCCCCCCC=CCCCCCCCCN.
What is the InChIKey of henicos-9-en-1-amine?
The InChIKey is YGYFOUUGXKUMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h12-13H,2-11,14-22H2,1H3.
What are the key properties of henicos-9-en-1-amine?
henicos-9-en-1-amine has a molecular weight of 309.58 g/mol, XLogP of 7.15, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-9-en-1-amine is sourced from PubChem (CID 154097370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).