N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane

C11H25NO2 — CID 163386010

IUPACN,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
SMILESCC.CN(C)CC1(C)COC(C)(C)O1
InChIInChI=1S/C9H19NO2.C2H6/c1-8(2)11-7-9(3,12-8)6-10(4)5;1-2/h6-7H2,1-5H3;1-2H3
InChIKeyASFNZUBKJYWKLF-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.12
Rot. Bonds2

About N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane

N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane (PubChem CID 163386010) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
PubChem CID163386010
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
SMILESCC.CN(C)CC1(C)COC(C)(C)O1
InChIInChI=1S/C9H19NO2.C2H6/c1-8(2)11-7-9(3,12-8)6-10(4)5;1-2/h6-7H2,1-5H3;1-2H3
InChIKeyASFNZUBKJYWKLF-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol
CID 14335626
N,N-dimethyl-1-[(2R)-2-silyloxiran-2-yl]methanamine
CID 174012950
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
5-[(dimethylamino)methyl]-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 171457008
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998
5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one
CID 13012624
1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol
CID 22807699
4-[(dimethylamino)methyl]-2-ethyl-2-methyloxane-4-carbaldehyde
CID 12627610
1-(3-fluoro-1-methylazetidin-3-yl)-N,N-dimethylmethanamine
CID 147431270
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
2-[2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 10490899

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane (CID 163386010) is N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane is CC.CN(C)CC1(C)COC(C)(C)O1.
What is the InChIKey of N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane?
The InChIKey is ASFNZUBKJYWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-8(2)11-7-9(3,12-8)6-10(4)5;1-2/h6-7H2,1-5H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane?
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane has a molecular weight of 203.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane is sourced from PubChem (CID 163386010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).