1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine

C10H21NO2 — CID 59602977

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine
SMILESCCCCC(N)CC1(C)OCCO1
InChIInChI=1S/C10H21NO2/c1-3-4-5-9(11)8-10(2)12-6-7-13-10/h9H,3-8,11H2,1-2H3
InChIKeyXLJJOTSCAJOYKE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.66
Rot. Bonds5

About 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine

1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine (PubChem CID 59602977) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine
PubChem CID59602977
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine
SMILESCCCCC(N)CC1(C)OCCO1
InChIInChI=1S/C10H21NO2/c1-3-4-5-9(11)8-10(2)12-6-7-13-10/h9H,3-8,11H2,1-2H3
InChIKeyXLJJOTSCAJOYKE-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine (CID 59602977) is 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine is CCCCC(N)CC1(C)OCCO1.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine?
The InChIKey is XLJJOTSCAJOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-9(11)8-10(2)12-6-7-13-10/h9H,3-8,11H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine?
1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)hexan-2-amine is sourced from PubChem (CID 59602977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).