(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine

C9H18N2 — CID 134429725

IUPAC(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine
SMILESCC1=CC[C@H](N)[C@@H](N(C)C)C1
InChIInChI=1S/C9H18N2/c1-7-4-5-8(10)9(6-7)11(2)3/h4,8-9H,5-6,10H2,1-3H3/t8-,9-/m0/s1
InChIKeyVZLUDHJNJZUBJE-IUCAKERBSA-N
MW154.26 g/mol
LogP0.98
Rot. Bonds1

About (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine

(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine (PubChem CID 134429725) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine
PubChem CID134429725
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine
SMILESCC1=CC[C@H](N)[C@@H](N(C)C)C1
InChIInChI=1S/C9H18N2/c1-7-4-5-8(10)9(6-7)11(2)3/h4,8-9H,5-6,10H2,1-3H3/t8-,9-/m0/s1
InChIKeyVZLUDHJNJZUBJE-IUCAKERBSA-N
XLogP0.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine?
The IUPAC name of (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine (CID 134429725) is (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine.
What is the SMILES notation for (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine?
The canonical SMILES for (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine is CC1=CC[C@H](N)[C@@H](N(C)C)C1.
What is the InChIKey of (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine?
The InChIKey is VZLUDHJNJZUBJE-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-4-5-8(10)9(6-7)11(2)3/h4,8-9H,5-6,10H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine?
(1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N,2-N,4-trimethylcyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 134429725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).