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

C10H20N2 — CID 18389887

IUPAC(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](N)[C@@H]2N
InChIInChI=1S/C10H20N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8H,4-5,11-12H2,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKeyJDSTZCGXMYNMOI-FDDDBJFASA-N
MW168.28 g/mol
LogP1.10
Rot. Bonds

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

(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine (PubChem CID 18389887) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine.

Molecular Properties

Compound Name(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
PubChem CID18389887
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](N)[C@@H]2N
InChIInChI=1S/C10H20N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8H,4-5,11-12H2,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKeyJDSTZCGXMYNMOI-FDDDBJFASA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

platinum(2+);(1S,2R,3S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;dichloride
CID 25099132
1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine
CID 146623964
3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
CID 2750662
(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium;tetrachlorogold(1-)
CID 2750608
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1R,2R,3S)-4,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820197
(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
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine?
The IUPAC name of (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine (CID 18389887) is (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine.
What is the SMILES notation for (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine?
The canonical SMILES for (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine is CC1(C)[C@@H]2CC[C@]1(C)[C@H](N)[C@@H]2N.
What is the InChIKey of (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine?
The InChIKey is JDSTZCGXMYNMOI-FDDDBJFASA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8H,4-5,11-12H2,1-3H3/t6-,7-,8-,10-/m1/s1.
What are the key properties of (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine?
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine is sourced from PubChem (CID 18389887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).