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

C10H19NO2 — CID 103546903

IUPAC1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine
SMILESC=CC(CC1OCCO1)NCCC
InChIInChI=1S/C10H19NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h4,9-11H,2-3,5-8H2,1H3
InChIKeyQYRZFRFWPDVVLX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.30
Rot. Bonds6

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

1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine (PubChem CID 103546903) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine
PubChem CID103546903
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine
SMILESC=CC(CC1OCCO1)NCCC
InChIInChI=1S/C10H19NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h4,9-11H,2-3,5-8H2,1H3
InChIKeyQYRZFRFWPDVVLX-UHFFFAOYSA-N
XLogP1.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.30
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

1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
CID 103546990
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
5-methyl-N-propylhept-1-en-3-amine
CID 105000936
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
1-(3,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103547300
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
5,6,6-trimethyl-N-propylhept-1-en-3-amine
CID 105000976
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
N-[1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine
CID 103546661
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine (CID 103546903) is 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine is C=CC(CC1OCCO1)NCCC.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine?
The InChIKey is QYRZFRFWPDVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h4,9-11H,2-3,5-8H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine?
1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine has a molecular weight of 185.27 g/mol, XLogP of 1.30, 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-propylbut-3-en-2-amine is sourced from PubChem (CID 103546903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).