1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine

C10H21NO2 — CID 103546362

IUPAC1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CC1OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyPYXSMFAUDUPPCA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

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

1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine (PubChem CID 103546362) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
PubChem CID103546362
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CC1OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyPYXSMFAUDUPPCA-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
CID 103546990
1-(1,3-dioxolan-2-yl)-N-propylbut-3-en-2-amine
CID 103546903
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
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
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
CID 103546912
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-propylbutan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine (CID 103546362) is 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine is CCCNC(CC)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine?
The InChIKey is PYXSMFAUDUPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-11-9(4-2)8-10-12-6-7-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine?
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 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-propylbutan-2-amine is sourced from PubChem (CID 103546362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).