(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine

C11H22N2O — CID 167503529

IUPAC(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NC2(C)CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-11(4-7-14-8-5-11)12-10-3-6-13(2)9-10/h10,12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyYYMJNYQJVKBAAY-SNVBAGLBSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine

(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine (PubChem CID 167503529) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine
PubChem CID167503529
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NC2(C)CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-11(4-7-14-8-5-11)12-10-3-6-13(2)9-10/h10,12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyYYMJNYQJVKBAAY-SNVBAGLBSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
N-(3-methyloxolan-3-yl)oxan-4-amine
CID 115922619
N-(1-methylcyclopentyl)oxan-4-amine
CID 61365399
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
CID 167501312
1-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131018352
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine
CID 164650351

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine (CID 167503529) is (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine is CN1CC[C@@H](NC2(C)CCOCC2)C1.
What is the InChIKey of (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The InChIKey is YYMJNYQJVKBAAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(4-7-14-8-5-11)12-10-3-6-13(2)9-10/h10,12H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine?
(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167503529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).