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

C12H23N — CID 98157758

IUPACN,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCC1=C[C@H](C)[C@@H](CN(C)C)[C@@H](C)C1
InChIInChI=1S/C12H23N/c1-9-6-10(2)12(8-13(4)5)11(3)7-9/h6,10-12H,7-8H2,1-5H3/t10-,11-,12+/m0/s1
InChIKeyWNWZCRBTVSIPOX-SDDRHHMPSA-N
MW181.32 g/mol
LogP2.79
Rot. Bonds2

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

N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (PubChem CID 98157758) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
PubChem CID98157758
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
SMILESCC1=C[C@H](C)[C@@H](CN(C)C)[C@@H](C)C1
InChIInChI=1S/C12H23N/c1-9-6-10(2)12(8-13(4)5)11(3)7-9/h6,10-12H,7-8H2,1-5H3/t10-,11-,12+/m0/s1
InChIKeyWNWZCRBTVSIPOX-SDDRHHMPSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine with MolForge

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Related Compounds

N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
N-methyl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 11898076
N-methyl-N-[[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 6945433
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
N-[3-(dimethylamino)propyl]-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 7075522
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
CID 5009124
2-methylpropyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 7380900
2-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]amino]ethyl acetate
CID 11904575
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]ethyl acetate
CID 6585467
1,3,4,5-tetramethylcyclohexene
CID 12751050

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine (CID 98157758) is N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is CC1=C[C@H](C)[C@@H](CN(C)C)[C@@H](C)C1.
What is the InChIKey of N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
The InChIKey is WNWZCRBTVSIPOX-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H23N/c1-9-6-10(2)12(8-13(4)5)11(3)7-9/h6,10-12H,7-8H2,1-5H3/t10-,11-,12+/m0/s1.
What are the key properties of N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine?
N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 98157758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).