N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane

C13H30N2O — CID 176927603

IUPACN,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane
SMILESCC.CC(C)OCC1(CN(C)C)CCCN1
InChIInChI=1S/C11H24N2O.C2H6/c1-10(2)14-9-11(8-13(3)4)6-5-7-12-11;1-2/h10,12H,5-9H2,1-4H3;1-2H3
InChIKeyKCOVTLUGRZBSNW-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds5

About N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane

N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane (PubChem CID 176927603) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane
PubChem CID176927603
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane
SMILESCC.CC(C)OCC1(CN(C)C)CCCN1
InChIInChI=1S/C11H24N2O.C2H6/c1-10(2)14-9-11(8-13(3)4)6-5-7-12-11;1-2/h10,12H,5-9H2,1-4H3;1-2H3
InChIKeyKCOVTLUGRZBSNW-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 168942620
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
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2-Ethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 79575494
1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 82938684
(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine
CID 89339942
(3R,4R)-4-methoxy-N,1,3-trimethylpyrrolidin-3-amine
CID 89681831
1-[4-[2-(Ethylamino)ethyl]morpholin-2-yl]-2-methylpropan-2-amine
CID 90732568
2,2-Dimethyl-4-propan-2-yloxypyrrolidine
CID 116821042
2-methyl-N-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]propan-2-amine
CID 117684668

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane (CID 176927603) is N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane is CC.CC(C)OCC1(CN(C)C)CCCN1.
What is the InChIKey of N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane?
The InChIKey is KCOVTLUGRZBSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C2H6/c1-10(2)14-9-11(8-13(3)4)6-5-7-12-11;1-2/h10,12H,5-9H2,1-4H3;1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane?
N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane has a molecular weight of 230.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine;ethane is sourced from PubChem (CID 176927603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).