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

C13H23N — CID 55278790

IUPAC(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(NC1CC1)C2
InChIInChI=1S/C13H23N/c1-12(2)9-6-7-13(12,3)11(8-9)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3/t9-,11?,13+/m1/s1
InChIKeyAFVPSILLUXLAGX-XTLKWQJWSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds2

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

(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 55278790) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID55278790
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(NC1CC1)C2
InChIInChI=1S/C13H23N/c1-12(2)9-6-7-13(12,3)11(8-9)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3/t9-,11?,13+/m1/s1
InChIKeyAFVPSILLUXLAGX-XTLKWQJWSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223179
1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine
CID 63023322
1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine
CID 107428120
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43223185
(1S,2R,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103905893

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 55278790) is (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)[C@@H]2CC[C@@]1(C)C(NC1CC1)C2.
What is the InChIKey of (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is AFVPSILLUXLAGX-XTLKWQJWSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2)9-6-7-13(12,3)11(8-9)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3/t9-,11?,13+/m1/s1.
What are the key properties of (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).