1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine

C11H21NO2 — CID 103546935

IUPAC1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CC1OCCO1)NC
InChIInChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)8-11-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3
InChIKeyBKPYLGYLSJPUPW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine

1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine (PubChem CID 103546935) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
PubChem CID103546935
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CC1OCCO1)NC
InChIInChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)8-11-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3
InChIKeyBKPYLGYLSJPUPW-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
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-methyl-6-methylideneoctan-4-amine
CID 66044817
1-(1,3-dioxolan-2-yl)-4-ethyl-N-methylhexan-2-amine
CID 103547104
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
[4-methylidene-1-(oxolan-2-yl)hexan-2-yl]hydrazine
CID 105198742
1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
CID 103546603
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
N,7,9,9-tetramethyl-3-methylidenedecan-5-amine
CID 105006137
N-methyl-5-methylidene-1-phenoxyheptan-3-amine
CID 66046491
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine (CID 103546935) is 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine is C=C(CC)CC(CC1OCCO1)NC.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine?
The InChIKey is BKPYLGYLSJPUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)7-10(12-3)8-11-13-5-6-14-11/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine?
1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 103546935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).