N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine

C12H26N2O — CID 166567478

IUPACN-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
SMILESCO[C@H]1CCN(CCN(C)C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)13(4)8-9-14-7-6-11(10-14)15-5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyMKCSYDVSBSAYJH-NSHDSACASA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds4

About N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine

N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 166567478) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
PubChem CID166567478
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
SMILESCO[C@H]1CCN(CCN(C)C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)13(4)8-9-14-7-6-11(10-14)15-5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyMKCSYDVSBSAYJH-NSHDSACASA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine (CID 166567478) is N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine is CO[C@H]1CCN(CCN(C)C(C)(C)C)C1.
What is the InChIKey of N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is MKCSYDVSBSAYJH-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)13(4)8-9-14-7-6-11(10-14)15-5/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine?
N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 166567478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).