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

C8H17NO2 — CID 123373607

IUPACN-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-4-9(3)7-8(2)10-5-6-11-8/h4-7H2,1-3H3
InChIKeyVCCNUWQQVNXOPA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds3

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

N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (PubChem CID 123373607) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
PubChem CID123373607
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-4-9(3)7-8(2)10-5-6-11-8/h4-7H2,1-3H3
InChIKeyVCCNUWQQVNXOPA-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (CID 123373607) is N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is CCN(C)CC1(C)OCCO1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The InChIKey is VCCNUWQQVNXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-9(3)7-8(2)10-5-6-11-8/h4-7H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 123373607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).