(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine

C10H19N — CID 98048766

IUPAC(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
SMILESCCCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H19N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8-11H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBGQLAJSTSCIEMI-OPRDCNLKSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds3

About (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine

(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine (PubChem CID 98048766) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
PubChem CID98048766
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
SMILESCCCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H19N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8-11H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBGQLAJSTSCIEMI-OPRDCNLKSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115893902
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine (CID 98048766) is (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine is CCCN[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is BGQLAJSTSCIEMI-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H19N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8-11H,2-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine?
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98048766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).