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

C10H21NO2 — CID 12887142

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1COC(C)(C)O1
InChIInChI=1S/C10H21NO2/c1-9(2,3)11-6-8-7-12-10(4,5)13-8/h8,11H,6-7H2,1-5H3
InChIKeyOQEXXKBGTYUAEP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds2

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 12887142) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID12887142
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1COC(C)(C)O1
InChIInChI=1S/C10H21NO2/c1-9(2,3)11-6-8-7-12-10(4,5)13-8/h8,11H,6-7H2,1-5H3
InChIKeyOQEXXKBGTYUAEP-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine (CID 12887142) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is OQEXXKBGTYUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)11-6-8-7-12-10(4,5)13-8/h8,11H,6-7H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 12887142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).