2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine

C9H16N2S — CID 155023002

IUPAC2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine
SMILESC=NC1=C(SCCN)CCCC1
InChIInChI=1S/C9H16N2S/c1-11-8-4-2-3-5-9(8)12-7-6-10/h1-7,10H2
InChIKeyMJCLSCQFZPZIQQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine

2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine (PubChem CID 155023002) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine
PubChem CID155023002
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine
SMILESC=NC1=C(SCCN)CCCC1
InChIInChI=1S/C9H16N2S/c1-11-8-4-2-3-5-9(8)12-7-6-10/h1-7,10H2
InChIKeyMJCLSCQFZPZIQQ-UHFFFAOYSA-N
XLogP2.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine?
The IUPAC name of 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine (CID 155023002) is 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine.
What is the SMILES notation for 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine?
The canonical SMILES for 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine is C=NC1=C(SCCN)CCCC1.
What is the InChIKey of 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine?
The InChIKey is MJCLSCQFZPZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-11-8-4-2-3-5-9(8)12-7-6-10/h1-7,10H2.
What are the key properties of 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine?
2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylideneamino)cyclohexen-1-yl]sulfanylethanamine is sourced from PubChem (CID 155023002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).