6-(dithiolan-3-yl)hexan-1-amine

C9H19NS2 — CID 142820519

IUPAC6-(dithiolan-3-yl)hexan-1-amine
SMILESNCCCCCCC1CCSS1
InChIInChI=1S/C9H19NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9H,1-8,10H2
InChIKeyNSCHCQCNCRNJAP-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.05
Rot. Bonds6

About 6-(dithiolan-3-yl)hexan-1-amine

6-(dithiolan-3-yl)hexan-1-amine (PubChem CID 142820519) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 6-(dithiolan-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(dithiolan-3-yl)hexan-1-amine
PubChem CID142820519
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name6-(dithiolan-3-yl)hexan-1-amine
SMILESNCCCCCCC1CCSS1
InChIInChI=1S/C9H19NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9H,1-8,10H2
InChIKeyNSCHCQCNCRNJAP-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-dodecyldithiolane
CID 89268246
6-[(3S)-dithiolan-3-yl]hexan-1-ol
CID 170367733
3-(11,11-dimethyldodecyl)dithiolane
CID 59717736
5-(dithiolan-3-yl)pentanal
CID 23587421
(3R)-3-(5-methylhexyl)dithiolane
CID 134168405
5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane
CID 54524649
5-(dithiolan-3-yl)pentanal;oxophosphane
CID 90421880
5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
3-(4-isocyanatobutyl)dithiolane
CID 20525121
(3S)-3-[4-(iodomethyliodanuidyl)butyl]dithiolane
CID 163265143
2-(2-aminoethyl)guanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 175206792
sodium 5-[(3S)-dithiolan-3-yl]pentanoate
CID 23693625

Frequently Asked Questions

What is the IUPAC name of 6-(dithiolan-3-yl)hexan-1-amine?
The IUPAC name of 6-(dithiolan-3-yl)hexan-1-amine (CID 142820519) is 6-(dithiolan-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(dithiolan-3-yl)hexan-1-amine?
The canonical SMILES for 6-(dithiolan-3-yl)hexan-1-amine is NCCCCCCC1CCSS1.
What is the InChIKey of 6-(dithiolan-3-yl)hexan-1-amine?
The InChIKey is NSCHCQCNCRNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9H,1-8,10H2.
What are the key properties of 6-(dithiolan-3-yl)hexan-1-amine?
6-(dithiolan-3-yl)hexan-1-amine has a molecular weight of 205.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dithiolan-3-yl)hexan-1-amine is sourced from PubChem (CID 142820519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).