(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine

C12H23N — CID 59880501

IUPAC(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
SMILESCN(C)[C@H]1CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-6-7-12(11,3)10(8-9)13(4)5/h9-10H,6-8H2,1-5H3/t9?,10-,12?/m0/s1
InChIKeyXUDICDUSDBRTAJ-YZRBJQDESA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds1

About (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine

(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 59880501) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
PubChem CID59880501
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
SMILESCN(C)[C@H]1CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-6-7-12(11,3)10(8-9)13(4)5/h9-10H,6-8H2,1-5H3/t9?,10-,12?/m0/s1
InChIKeyXUDICDUSDBRTAJ-YZRBJQDESA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430
N,N'-dimethyl-N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hexane-1,6-diamine
CID 90670992
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine (CID 59880501) is (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine is CN(C)[C@H]1CC2CCC1(C)C2(C)C.
What is the InChIKey of (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is XUDICDUSDBRTAJ-YZRBJQDESA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)9-6-7-12(11,3)10(8-9)13(4)5/h9-10H,6-8H2,1-5H3/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine?
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 59880501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).