N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine

C13H23N — CID 57117640

IUPACN,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
SMILESCC1=C(C=CN(C)C)C(C)(C)CCC1
InChIInChI=1S/C13H23N/c1-11-7-6-9-13(2,3)12(11)8-10-14(4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyPNJVXTIJVHMYOZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds2

About N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine

N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine (PubChem CID 57117640) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
PubChem CID57117640
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
SMILESCC1=C(C=CN(C)C)C(C)(C)CCC1
InChIInChI=1S/C13H23N/c1-11-7-6-9-13(2,3)12(11)8-10-14(4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyPNJVXTIJVHMYOZ-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 15517576
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 10561866
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
(2E,4Z,6E,8E)-6,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 122380251

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine?
The IUPAC name of N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine (CID 57117640) is N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine.
What is the SMILES notation for N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine?
The canonical SMILES for N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine is CC1=C(C=CN(C)C)C(C)(C)CCC1.
What is the InChIKey of N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine?
The InChIKey is PNJVXTIJVHMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-7-6-9-13(2,3)12(11)8-10-14(4)5/h8,10H,6-7,9H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine?
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine is sourced from PubChem (CID 57117640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).