(Z)-17-hexadecyltetratriacont-25-en-17-amine

C50H101N — CID 87119990

IUPAC(Z)-17-hexadecyltetratriacont-25-en-17-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H101N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28H,4-24,26-27,29-49,51H2,1-3H3/b28-25-
InChIKeyLAKPQVZTXZMAOG-FVDSYPCUSA-N
MW716.36 g/mol
LogP18.46
Rot. Bonds45

About (Z)-17-hexadecyltetratriacont-25-en-17-amine

(Z)-17-hexadecyltetratriacont-25-en-17-amine (PubChem CID 87119990) has the molecular formula C50H101N and a molecular weight of 716.36 g/mol. Its IUPAC name is (Z)-17-hexadecyltetratriacont-25-en-17-amine.

Molecular Properties

Compound Name(Z)-17-hexadecyltetratriacont-25-en-17-amine
PubChem CID87119990
Molecular FormulaC50H101N
Molecular Weight716.36 g/mol
Exact Mass715.79
IUPAC Name(Z)-17-hexadecyltetratriacont-25-en-17-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H101N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28H,4-24,26-27,29-49,51H2,1-3H3/b28-25-
InChIKeyLAKPQVZTXZMAOG-FVDSYPCUSA-N
XLogP18.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds45
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.36
LogP ≤ 518.46
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)-9-octylhexacos-17-en-9-amine
CID 88623837
3-amino-3-[(Z)-docos-13-enyl]pentane-1,5-diol
CID 88667452
11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
(7R)-18-amino-18-butyldocos-9-en-7-ol
CID 90750156

Frequently Asked Questions

What is the IUPAC name of (Z)-17-hexadecyltetratriacont-25-en-17-amine?
The IUPAC name of (Z)-17-hexadecyltetratriacont-25-en-17-amine (CID 87119990) is (Z)-17-hexadecyltetratriacont-25-en-17-amine.
What is the SMILES notation for (Z)-17-hexadecyltetratriacont-25-en-17-amine?
The canonical SMILES for (Z)-17-hexadecyltetratriacont-25-en-17-amine is CCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-17-hexadecyltetratriacont-25-en-17-amine?
The InChIKey is LAKPQVZTXZMAOG-FVDSYPCUSA-N. The full InChI is InChI=1S/C50H101N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28H,4-24,26-27,29-49,51H2,1-3H3/b28-25-.
What are the key properties of (Z)-17-hexadecyltetratriacont-25-en-17-amine?
(Z)-17-hexadecyltetratriacont-25-en-17-amine has a molecular weight of 716.36 g/mol, XLogP of 18.46, 45 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-17-hexadecyltetratriacont-25-en-17-amine is sourced from PubChem (CID 87119990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).