(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine

C14H24N2 — CID 142325880

IUPAC(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine
SMILESCC1(C)[C@H]2CC=C(CN3CC[C@@H](N)C3)[C@@H]1C2
InChIInChI=1S/C14H24N2/c1-14(2)11-4-3-10(13(14)7-11)8-16-6-5-12(15)9-16/h3,11-13H,4-9,15H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyCMCIFLNROAQPJY-XQQFMLRXSA-N
MW220.36 g/mol
LogP2.01
Rot. Bonds2

About (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine

(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine (PubChem CID 142325880) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine
PubChem CID142325880
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine
SMILESCC1(C)[C@H]2CC=C(CN3CC[C@@H](N)C3)[C@@H]1C2
InChIInChI=1S/C14H24N2/c1-14(2)11-4-3-10(13(14)7-11)8-16-6-5-12(15)9-16/h3,11-13H,4-9,15H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyCMCIFLNROAQPJY-XQQFMLRXSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine (CID 142325880) is (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine is CC1(C)[C@H]2CC=C(CN3CC[C@@H](N)C3)[C@@H]1C2.
What is the InChIKey of (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine?
The InChIKey is CMCIFLNROAQPJY-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2)11-4-3-10(13(14)7-11)8-16-6-5-12(15)9-16/h3,11-13H,4-9,15H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine?
(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 142325880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).