N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine

C16H25NO2 — CID 12706235

IUPACN-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCC(CCN(C)Cc1ccccc1)C1(C)OCCO1
InChIInChI=1S/C16H25NO2/c1-14(16(2)18-11-12-19-16)9-10-17(3)13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyGYNJZTZYPUYZFA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds6

About N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine

N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine (PubChem CID 12706235) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
PubChem CID12706235
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCC(CCN(C)Cc1ccccc1)C1(C)OCCO1
InChIInChI=1S/C16H25NO2/c1-14(16(2)18-11-12-19-16)9-10-17(3)13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyGYNJZTZYPUYZFA-UHFFFAOYSA-N
XLogP2.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine (CID 12706235) is N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine is CC(CCN(C)Cc1ccccc1)C1(C)OCCO1.
What is the InChIKey of N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The InChIKey is GYNJZTZYPUYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(16(2)18-11-12-19-16)9-10-17(3)13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine is sourced from PubChem (CID 12706235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).