(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine

C11H21N — CID 59879347

IUPAC(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine
SMILESC[C@H]1C=CC(C)(C)CC(N)[C@@H]1C
InChIInChI=1S/C11H21N/c1-8-5-6-11(3,4)7-10(12)9(8)2/h5-6,8-10H,7,12H2,1-4H3/t8-,9+,10?/m0/s1
InChIKeyYSGUOEMUVBVIHG-QIIDTADFSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds

About (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine

(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine (PubChem CID 59879347) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine.

Molecular Properties

Compound Name(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine
PubChem CID59879347
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine
SMILESC[C@H]1C=CC(C)(C)CC(N)[C@@H]1C
InChIInChI=1S/C11H21N/c1-8-5-6-11(3,4)7-10(12)9(8)2/h5-6,8-10H,7,12H2,1-4H3/t8-,9+,10?/m0/s1
InChIKeyYSGUOEMUVBVIHG-QIIDTADFSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine?
The IUPAC name of (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine (CID 59879347) is (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine.
What is the SMILES notation for (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine?
The canonical SMILES for (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine is C[C@H]1C=CC(C)(C)CC(N)[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine?
The InChIKey is YSGUOEMUVBVIHG-QIIDTADFSA-N. The full InChI is InChI=1S/C11H21N/c1-8-5-6-11(3,4)7-10(12)9(8)2/h5-6,8-10H,7,12H2,1-4H3/t8-,9+,10?/m0/s1.
What are the key properties of (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine?
(2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,6,6-tetramethylcyclohept-4-en-1-amine is sourced from PubChem (CID 59879347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).