N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine

C7H15NO2 — CID 13175522

IUPACN-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCCNCC1(C)OCCO1
InChIInChI=1S/C7H15NO2/c1-3-8-6-7(2)9-4-5-10-7/h8H,3-6H2,1-2H3
InChIKeyYMRPWLLTVHZUFP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds3

About N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine

N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (PubChem CID 13175522) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
PubChem CID13175522
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCCNCC1(C)OCCO1
InChIInChI=1S/C7H15NO2/c1-3-8-6-7(2)9-4-5-10-7/h8H,3-6H2,1-2H3
InChIKeyYMRPWLLTVHZUFP-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolane-2-methanamine, N-methyl-
CID 541754
2-Methyl-2-(methylaminomethyl)-1,3-dioxolane
CID 853398
1,4-Dioxa-7-azaspiro(4.4)nonane
CID 15165039
(4R)-N,2,2-Trimethyl-1,3-dioxolan-4-amine
CID 69292156
[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl](methyl)amine hydrochloride
CID 155943669
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(methyl)amine hydrochloride
CID 165986481
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride
CID 165998880
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
CID 14009886
4-[(Methylamino)methyl]-1,3-dioxolan-2-one
CID 55300687
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
CID 20093911
Oqexxkbgtyuaep-uhfffaoysa-
CID 12887142
(4s,5s)-2,2-Dimethyl-4,5-bis(methylaminomethyl)-1,3-dioxolane
CID 12007967

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (CID 13175522) is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is CCNCC1(C)OCCO1.
What is the InChIKey of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The InChIKey is YMRPWLLTVHZUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8-6-7(2)9-4-5-10-7/h8H,3-6H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 13175522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).