(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine

C14H28N2 — CID 124768854

IUPAC(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
SMILESCN(C)[C@@H]1[C@H]2CC[C@@](C)([C@H]1N(C)C)C2(C)C
InChIInChI=1S/C14H28N2/c1-13(2)10-8-9-14(13,3)12(16(6)7)11(10)15(4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+,14+/m1/s1
InChIKeyWWHMPEUSLLXFGZ-NMKXLXIOSA-N
MW224.39 g/mol
LogP2.30
Rot. Bonds2

About (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine

(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine (PubChem CID 124768854) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine.

Molecular Properties

Compound Name(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
PubChem CID124768854
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
SMILESCN(C)[C@@H]1[C@H]2CC[C@@](C)([C@H]1N(C)C)C2(C)C
InChIInChI=1S/C14H28N2/c1-13(2)10-8-9-14(13,3)12(16(6)7)11(10)15(4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+,14+/m1/s1
InChIKeyWWHMPEUSLLXFGZ-NMKXLXIOSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine with MolForge

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Related Compounds

3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
CID 2750662
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
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-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide
CID 2750629
2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
CID 2750639
(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
N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide
CID 24832219
(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
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501
platinum(2+);(1S,2R,3S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;dichloride
CID 25099132

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine?
The IUPAC name of (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) is (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine.
What is the SMILES notation for (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine?
The canonical SMILES for (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine is CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@H]1N(C)C)C2(C)C.
What is the InChIKey of (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine?
The InChIKey is WWHMPEUSLLXFGZ-NMKXLXIOSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)10-8-9-14(13,3)12(16(6)7)11(10)15(4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+,14+/m1/s1.
What are the key properties of (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine?
(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine is sourced from PubChem (CID 124768854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).