(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine

C9H20N2O — CID 94474733

IUPAC(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
SMILESCOC[C@@H](C)N[C@H]1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(7-12-3)10-9-4-5-11(2)6-9/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyRKHWPPXWWCEFFQ-BDAKNGLRSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds4

About (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine

(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine (PubChem CID 94474733) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
PubChem CID94474733
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
SMILESCOC[C@@H](C)N[C@H]1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(7-12-3)10-9-4-5-11(2)6-9/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyRKHWPPXWWCEFFQ-BDAKNGLRSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
3-[(1-methylpyrrolidin-3-yl)amino]butanenitrile
CID 61462253
(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
CID 97358828
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-(1-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine (CID 94474733) is (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine is COC[C@@H](C)N[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine?
The InChIKey is RKHWPPXWWCEFFQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(7-12-3)10-9-4-5-11(2)6-9/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine?
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 94474733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).