N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine

C11H23NO3 — CID 107386363

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCC1COC(C)(C)O1
InChIInChI=1S/C11H23NO3/c1-8(9(2)13-5)12-6-10-7-14-11(3,4)15-10/h8-10,12H,6-7H2,1-5H3
InChIKeyDLOTWPJHYVZXEN-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.15
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine (PubChem CID 107386363) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine
PubChem CID107386363
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCC1COC(C)(C)O1
InChIInChI=1S/C11H23NO3/c1-8(9(2)13-5)12-6-10-7-14-11(3,4)15-10/h8-10,12H,6-7H2,1-5H3
InChIKeyDLOTWPJHYVZXEN-UHFFFAOYSA-N
XLogP1.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104787578
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 107386127
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 107386619
4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
CID 13319189
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 107386572
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107386604
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 107386677

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine (CID 107386363) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine is COC(C)C(C)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine?
The InChIKey is DLOTWPJHYVZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(9(2)13-5)12-6-10-7-14-11(3,4)15-10/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 107386363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).