1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine

C10H21NO2 — CID 65351199

IUPAC1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)C1COCCO1
InChIInChI=1S/C10H21NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h8-10H,3-7,11H2,1-2H3
InChIKeyAMYHGEGKIZNIIB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine

1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine (PubChem CID 65351199) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
PubChem CID65351199
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)C1COCCO1
InChIInChI=1S/C10H21NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h8-10H,3-7,11H2,1-2H3
InChIKeyAMYHGEGKIZNIIB-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 68856315
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 65352588
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 155062842
1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 115825177
3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
2-(3,5-dimethylheptan-2-yl)oxirane
CID 90970634
1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115825359
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
1,4-dioxan-2-yl-(5-ethylfuran-2-yl)methanamine
CID 62804530

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine (CID 65351199) is 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine is CCC(C)CC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine?
The InChIKey is AMYHGEGKIZNIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine?
1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 65351199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).