(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine

C14H26N2 — CID 98108280

IUPAC(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCN1CCC[C@H]1CCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H26N2/c1-16-8-2-3-13(16)6-7-15-14-10-11-4-5-12(14)9-11/h11-15H,2-10H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyHTGVPRBEUIGJSV-YIYPIFLZSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine

(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 98108280) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID98108280
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCN1CCC[C@H]1CCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H26N2/c1-16-8-2-3-13(16)6-7-15-14-10-11-4-5-12(14)9-11/h11-15H,2-10H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyHTGVPRBEUIGJSV-YIYPIFLZSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60690787
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886340
2-methoxy-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclopentan-1-amine
CID 55067119
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pentan-2-amine
CID 75504470
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine (CID 98108280) is (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine is CN1CCC[C@H]1CCN[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HTGVPRBEUIGJSV-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H26N2/c1-16-8-2-3-13(16)6-7-15-14-10-11-4-5-12(14)9-11/h11-15H,2-10H2,1H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).