N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine

C14H22N2O2 — CID 103546727

IUPACN-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(C)nc1
InChIInChI=1S/C14H22N2O2/c1-3-6-15-13(9-14-17-7-8-18-14)12-5-4-11(2)16-10-12/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyKBGMWTUVFSSJHT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 103546727) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID103546727
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(C)nc1
InChIInChI=1S/C14H22N2O2/c1-3-6-15-13(9-14-17-7-8-18-14)12-5-4-11(2)16-10-12/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyKBGMWTUVFSSJHT-UHFFFAOYSA-N
XLogP2.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 103546676
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
N-[2-(4-bromophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66056115
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 103546727) is N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1OCCO1)c1ccc(C)nc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is KBGMWTUVFSSJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-15-13(9-14-17-7-8-18-14)12-5-4-11(2)16-10-12/h4-5,10,13-15H,3,6-9H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 103546727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).