(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

C10H19N — CID 11744832

IUPAC(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@H]1[C@H](N)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyVPTSZLVPZCTAHZ-BZNPZCIMSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds

About (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 11744832) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID11744832
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@H]1[C@H](N)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyVPTSZLVPZCTAHZ-BZNPZCIMSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (CID 11744832) is (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is C[C@H]1[C@H](N)C[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is VPTSZLVPZCTAHZ-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 11744832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).