(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine

C12H22N2 — CID 124710062

IUPAC(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@H](N[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C12H22N2/c1-14-5-4-11(8-14)13-12-7-9-2-3-10(12)6-9/h9-13H,2-8H2,1H3/t9-,10-,11-,12-/m0/s1
InChIKeyRSTPJEKEYJDWAV-BJDJZHNGSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds2

About (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine

(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine (PubChem CID 124710062) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
PubChem CID124710062
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@H](N[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C12H22N2/c1-14-5-4-11(8-14)13-12-7-9-2-3-10(12)6-9/h9-13H,2-8H2,1H3/t9-,10-,11-,12-/m0/s1
InChIKeyRSTPJEKEYJDWAV-BJDJZHNGSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
CID 131031507
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
N-(2-cyclopropylcyclopropyl)-1-methylpiperidin-4-amine
CID 130637185
N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
CID 63996461
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
N-(2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364632

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine (CID 124710062) is (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine is CN1CC[C@H](N[C@H]2C[C@H]3CC[C@H]2C3)C1.
What is the InChIKey of (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine?
The InChIKey is RSTPJEKEYJDWAV-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H22N2/c1-14-5-4-11(8-14)13-12-7-9-2-3-10(12)6-9/h9-13H,2-8H2,1H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine?
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 124710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).