14-amino-5-diazenyl-3-iminotetradecane-1-thiol

C14H30N4S — CID 134325414

IUPAC14-amino-5-diazenyl-3-iminotetradecane-1-thiol
SMILES[H]/N=C(\CCS)CC(CCCCCCCCCN)/N=N/[H]
InChIInChI=1S/C14H30N4S/c15-10-7-5-3-1-2-4-6-8-14(18-17)12-13(16)9-11-19/h14,16-17,19H,1-12,15H2/b16-13+,18-17+
InChIKeyHGXGMHXLFVJLBZ-MTUSAYGMSA-N
MW286.49 g/mol
LogP4.20
Rot. Bonds14

About 14-amino-5-diazenyl-3-iminotetradecane-1-thiol

14-amino-5-diazenyl-3-iminotetradecane-1-thiol (PubChem CID 134325414) has the molecular formula C14H30N4S and a molecular weight of 286.49 g/mol. Its IUPAC name is 14-amino-5-diazenyl-3-iminotetradecane-1-thiol.

Molecular Properties

Compound Name14-amino-5-diazenyl-3-iminotetradecane-1-thiol
PubChem CID134325414
Molecular FormulaC14H30N4S
Molecular Weight286.49 g/mol
Exact Mass286.22
IUPAC Name14-amino-5-diazenyl-3-iminotetradecane-1-thiol
SMILES[H]/N=C(\CCS)CC(CCCCCCCCCN)/N=N/[H]
InChIInChI=1S/C14H30N4S/c15-10-7-5-3-1-2-4-6-8-14(18-17)12-13(16)9-11-19/h14,16-17,19H,1-12,15H2/b16-13+,18-17+
InChIKeyHGXGMHXLFVJLBZ-MTUSAYGMSA-N
XLogP4.20
TPSA86.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-diazenyloctane-1,8-diamine
CID 175172672
2-iminononane-1,8-diamine
CID 157053854
7-iminooctan-1-amine
CID 174433043
6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
pentane-1,5-diamine;tantalum
CID 159829635
14-aminotetradecane-1,1-diol
CID 87370531
7-aminoheptane-1,3-dithiol
CID 167040747
pentacosane-1,13,25-triamine
CID 174653759
6-aminohexane-1-thiol;hydrochloride
CID 22274759
1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
CID 158684946
1-bromohexane-1,6-diamine
CID 174353675

Frequently Asked Questions

What is the IUPAC name of 14-amino-5-diazenyl-3-iminotetradecane-1-thiol?
The IUPAC name of 14-amino-5-diazenyl-3-iminotetradecane-1-thiol (CID 134325414) is 14-amino-5-diazenyl-3-iminotetradecane-1-thiol.
What is the SMILES notation for 14-amino-5-diazenyl-3-iminotetradecane-1-thiol?
The canonical SMILES for 14-amino-5-diazenyl-3-iminotetradecane-1-thiol is [H]/N=C(\CCS)CC(CCCCCCCCCN)/N=N/[H].
What is the InChIKey of 14-amino-5-diazenyl-3-iminotetradecane-1-thiol?
The InChIKey is HGXGMHXLFVJLBZ-MTUSAYGMSA-N. The full InChI is InChI=1S/C14H30N4S/c15-10-7-5-3-1-2-4-6-8-14(18-17)12-13(16)9-11-19/h14,16-17,19H,1-12,15H2/b16-13+,18-17+.
What are the key properties of 14-amino-5-diazenyl-3-iminotetradecane-1-thiol?
14-amino-5-diazenyl-3-iminotetradecane-1-thiol has a molecular weight of 286.49 g/mol, XLogP of 4.20, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-amino-5-diazenyl-3-iminotetradecane-1-thiol is sourced from PubChem (CID 134325414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).