(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

C19H33N — CID 58798851

IUPAC(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESC[C@H]1[C@H](C)[C@@H](N(C)[C@H]2C=C[C@@H](C)[C@@H](C)[C@@H]2C)C=C[C@H]1C
InChIInChI=1S/C19H33N/c1-12-8-10-18(16(5)14(12)3)20(7)19-11-9-13(2)15(4)17(19)6/h8-19H,1-7H3/t12-,13-,14-,15-,16+,17+,18+,19+/m1/s1
InChIKeyZDMBVVLCCODJNZ-UYKRBRGISA-N
MW275.48 g/mol
LogP4.61
Rot. Bonds2

About (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (PubChem CID 58798851) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
PubChem CID58798851
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESC[C@H]1[C@H](C)[C@@H](N(C)[C@H]2C=C[C@@H](C)[C@@H](C)[C@@H]2C)C=C[C@H]1C
InChIInChI=1S/C19H33N/c1-12-8-10-18(16(5)14(12)3)20(7)19-11-9-13(2)15(4)17(19)6/h8-19H,1-7H3/t12-,13-,14-,15-,16+,17+,18+,19+/m1/s1
InChIKeyZDMBVVLCCODJNZ-UYKRBRGISA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The IUPAC name of (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (CID 58798851) is (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The canonical SMILES for (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is C[C@H]1[C@H](C)[C@@H](N(C)[C@H]2C=C[C@@H](C)[C@@H](C)[C@@H]2C)C=C[C@H]1C.
What is the InChIKey of (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The InChIKey is ZDMBVVLCCODJNZ-UYKRBRGISA-N. The full InChI is InChI=1S/C19H33N/c1-12-8-10-18(16(5)14(12)3)20(7)19-11-9-13(2)15(4)17(19)6/h8-19H,1-7H3/t12-,13-,14-,15-,16+,17+,18+,19+/m1/s1.
What are the key properties of (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 58798851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).