N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine

C11H21N — CID 7302881

IUPACN-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCNC[C@@H]1[C@H](C)C=C(C)C[C@@H]1C
InChIInChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyPWAQHLVFMIZZFN-OUAUKWLOSA-N
MW167.30 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine

N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (PubChem CID 7302881) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
PubChem CID7302881
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCNC[C@@H]1[C@H](C)C=C(C)C[C@@H]1C
InChIInChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyPWAQHLVFMIZZFN-OUAUKWLOSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]aniline
CID 7007154
N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 98157758
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
2-piperazin-1-yl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
N-(furan-2-ylmethyl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 1364525
methyl (2,4,6-trimethylcyclohex-3-en-1-yl)methyl carbonate
CID 15278415
2-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]amino]ethanol
CID 98284061
2-methylpropyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 7380900
1,3,4,5-tetramethylcyclohexene
CID 12751050
N-methyl-N-[[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 6945433
N-methyl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 11898076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (CID 7302881) is N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is CNC[C@@H]1[C@H](C)C=C(C)C[C@@H]1C.
What is the InChIKey of N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The InChIKey is PWAQHLVFMIZZFN-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 7302881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).