(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C10H19N — CID 6553267

IUPAC(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N)C2
InChIInChI=1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1
InChIKeyMDFWXZBEVCOVIO-WEDXCCLWSA-N
MW153.27 g/mol
LogP2.16
Rot. Bonds

About (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 6553267) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID6553267
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N)C2
InChIInChI=1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1
InChIKeyMDFWXZBEVCOVIO-WEDXCCLWSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 6553267) is (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N)C2.
What is the InChIKey of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is MDFWXZBEVCOVIO-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1.
What are the key properties of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 6553267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).