(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine

C12H20N2O — CID 141079639

IUPAC(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine
SMILESCOC[C@H]1CC(NC2=CCCC=C2)CN1
InChIInChI=1S/C12H20N2O/c1-15-9-12-7-11(8-13-12)14-10-5-3-2-4-6-10/h3,5-6,11-14H,2,4,7-9H2,1H3/t11?,12-/m1/s1
InChIKeyWTGMAVJILRAKMP-PIJUOVFKSA-N
MW208.31 g/mol
LogP1.19
Rot. Bonds4

About (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine

(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine (PubChem CID 141079639) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine
PubChem CID141079639
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine
SMILESCOC[C@H]1CC(NC2=CCCC=C2)CN1
InChIInChI=1S/C12H20N2O/c1-15-9-12-7-11(8-13-12)14-10-5-3-2-4-6-10/h3,5-6,11-14H,2,4,7-9H2,1H3/t11?,12-/m1/s1
InChIKeyWTGMAVJILRAKMP-PIJUOVFKSA-N
XLogP1.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine?
The IUPAC name of (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine (CID 141079639) is (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine.
What is the SMILES notation for (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine?
The canonical SMILES for (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine is COC[C@H]1CC(NC2=CCCC=C2)CN1.
What is the InChIKey of (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine?
The InChIKey is WTGMAVJILRAKMP-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-9-12-7-11(8-13-12)14-10-5-3-2-4-6-10/h3,5-6,11-14H,2,4,7-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine?
(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine is sourced from PubChem (CID 141079639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).