1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine

C11H21NO2 — CID 66038531

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1COCCO1
InChIInChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)11-8-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3
InChIKeyOHORNWBKZIRNDN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine

1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine (PubChem CID 66038531) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
PubChem CID66038531
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1COCCO1
InChIInChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)11-8-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3
InChIKeyOHORNWBKZIRNDN-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohepten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 55119665
1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803286
N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 62803287
N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 62803288
1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803471
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 62803472
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 62803473
1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803654
1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine
CID 65352415
1-(1,4-dioxan-2-yl)-N-ethylpent-4-en-1-amine
CID 65352435
1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
CID 65352525
1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine
CID 65352651

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine (CID 66038531) is 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is OHORNWBKZIRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)11-8-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine?
1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 5 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)-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 66038531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).