1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine

C13H27NO2 — CID 103546990

IUPAC1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1OCCO1)C(CC)CC
InChIInChI=1S/C13H27NO2/c1-4-7-14-12(11(5-2)6-3)10-13-15-8-9-16-13/h11-14H,4-10H2,1-3H3
InChIKeyPCEABGCUDSDMFO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.55
Rot. Bonds8

About 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine

1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine (PubChem CID 103546990) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
PubChem CID103546990
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1OCCO1)C(CC)CC
InChIInChI=1S/C13H27NO2/c1-4-7-14-12(11(5-2)6-3)10-13-15-8-9-16-13/h11-14H,4-10H2,1-3H3
InChIKeyPCEABGCUDSDMFO-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine
CID 103546903
1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
CID 115842226
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
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
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine (CID 103546990) is 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine is CCCNC(CC1OCCO1)C(CC)CC.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine?
The InChIKey is PCEABGCUDSDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-14-12(11(5-2)6-3)10-13-15-8-9-16-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine?
1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.55, 8 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)-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 103546990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).