N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine

C13H22N2O — CID 19697050

IUPACN-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
SMILESCC(C)N(OCCc1ccccn1)C(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)15(12(3)4)16-10-8-13-7-5-6-9-14-13/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyXVTKOHZGKIFVQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds6

About N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine

N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine (PubChem CID 19697050) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
PubChem CID19697050
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
SMILESCC(C)N(OCCc1ccccn1)C(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)15(12(3)4)16-10-8-13-7-5-6-9-14-13/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyXVTKOHZGKIFVQH-UHFFFAOYSA-N
XLogP2.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
2-pyridin-2-ylethyl cyanate
CID 21195134
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
CID 62030222
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123756
(1R)-1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123919

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine (CID 19697050) is N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine is CC(C)N(OCCc1ccccn1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine?
The InChIKey is XVTKOHZGKIFVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)15(12(3)4)16-10-8-13-7-5-6-9-14-13/h5-7,9,11-12H,8,10H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine?
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine is sourced from PubChem (CID 19697050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).