N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine

C11H19NS2 — CID 107908102

IUPACN-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CSCCS2)CCC1
InChIInChI=1S/C11H19NS2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2
InChIKeyBKRDXTWCTWCEQE-UHFFFAOYSA-N
MW229.41 g/mol
LogP2.53
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine

N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 107908102) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID107908102
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CSCCS2)CCC1
InChIInChI=1S/C11H19NS2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2
InChIKeyBKRDXTWCTWCEQE-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dithian-2-ylmethyl)oxepan-4-amine
CID 115886462
N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
CID 115727317
N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906466
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-amine
CID 106429467
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
N-(1,4-dithian-2-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 115906149
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
CID 107907330
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115727339
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine (CID 107908102) is N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2CSCCS2)CCC1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is BKRDXTWCTWCEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2.
What are the key properties of N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine?
N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 229.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107908102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).