(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

C11H21N — CID 98136525

IUPAC(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1
InChIKeyTUBMCSVBLIVDLY-NGZCFLSTSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

About (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 98136525) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
PubChem CID98136525
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1
InChIKeyTUBMCSVBLIVDLY-NGZCFLSTSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 113302646
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114118896
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (CID 98136525) is (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is CN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2.
What is the InChIKey of (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is TUBMCSVBLIVDLY-NGZCFLSTSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1.
What are the key properties of (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98136525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).