1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine

C13H25NO2 — CID 107011903

IUPAC1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
SMILESC=CCCCCCC(CC1OCCO1)NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-12(14-2)11-13-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeyBRMBIEZZCWJJIX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds9

About 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine

1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine (PubChem CID 107011903) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
PubChem CID107011903
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
SMILESC=CCCCCCC(CC1OCCO1)NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-12(14-2)11-13-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeyBRMBIEZZCWJJIX-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylpentadec-1-en-8-amine
CID 107011425
N-methyl-1-(thian-4-yl)non-8-en-2-amine
CID 107011659
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009286
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
CID 142059392
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
N-methyloct-7-en-2-amine
CID 64502847
N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
CID 107009840
1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
CID 103546935
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
1-(1,3-dioxolan-2-yl)-4-ethyl-N-methylhexan-2-amine
CID 103547104

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine (CID 107011903) is 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine is C=CCCCCCC(CC1OCCO1)NC.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine?
The InChIKey is BRMBIEZZCWJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-7-8-12(14-2)11-13-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine?
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 9 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-methylnon-8-en-2-amine is sourced from PubChem (CID 107011903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).