[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide

C15H31IN2 — CID 2750629

IUPAC[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide
SMILESCN(C)C1C([N+](C)(C)C)C2CCC1(C)C2(C)C.[I-]
InChIInChI=1S/C15H31N2.HI/c1-14(2)11-9-10-15(14,3)13(16(4)5)12(11)17(6,7)8;/h11-13H,9-10H2,1-8H3;1H/q+1;/p-1
InChIKeyBNWIPELUISKJKA-UHFFFAOYSA-M
MW366.33 g/mol
LogP-0.55
Rot. Bonds2

About [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide

[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide (PubChem CID 2750629) has the molecular formula C15H31IN2 and a molecular weight of 366.33 g/mol. Its IUPAC name is [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide
PubChem CID2750629
Molecular FormulaC15H31IN2
Molecular Weight366.33 g/mol
Exact Mass366.15
IUPAC Name[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide
SMILESCN(C)C1C([N+](C)(C)C)C2CCC1(C)C2(C)C.[I-]
InChIInChI=1S/C15H31N2.HI/c1-14(2)11-9-10-15(14,3)13(16(4)5)12(11)17(6,7)8;/h11-13H,9-10H2,1-8H3;1H/q+1;/p-1
InChIKeyBNWIPELUISKJKA-UHFFFAOYSA-M
XLogP-0.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
CID 124768854
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
(3-acetyloxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-trimethylazanium
CID 56843023
N-methyl-N-[(1S,2S,3R,4R)-1,7,7-trimethyl-3-[methyl(nitroso)amino]-2-bicyclo[2.2.1]heptanyl]nitrous amide
CID 11868339
3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
CID 2750662
2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
CID 2750639
2-[[(1R,2R,3S,4S)-3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 11868345
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1,3-diethoxy-1,3-dioxopropan-2-yl)-[(1R,2S,3R,4R)-3-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-dimethylazanium
CID 98102730
(1S,3S,4R)-3-(dimethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 102518889
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide?
The IUPAC name of [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide (CID 2750629) is [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide.
What is the SMILES notation for [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide?
The canonical SMILES for [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide is CN(C)C1C([N+](C)(C)C)C2CCC1(C)C2(C)C.[I-].
What is the InChIKey of [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide?
The InChIKey is BNWIPELUISKJKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31N2.HI/c1-14(2)11-9-10-15(14,3)13(16(4)5)12(11)17(6,7)8;/h11-13H,9-10H2,1-8H3;1H/q+1;/p-1.
What are the key properties of [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide?
[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide has a molecular weight of 366.33 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide is sourced from PubChem (CID 2750629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).