N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine

C13H23N3O2 — CID 114276414

IUPACN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
SMILESCOc1cccnc1N(CCOCCN)C(C)C
InChIInChI=1S/C13H23N3O2/c1-11(2)16(8-10-18-9-6-14)13-12(17-3)5-4-7-15-13/h4-5,7,11H,6,8-10,14H2,1-3H3
InChIKeyHKMFGKZICOYOBO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine

N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine (PubChem CID 114276414) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
PubChem CID114276414
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
SMILESCOc1cccnc1N(CCOCCN)C(C)C
InChIInChI=1S/C13H23N3O2/c1-11(2)16(8-10-18-9-6-14)13-12(17-3)5-4-7-15-13/h4-5,7,11H,6,8-10,14H2,1-3H3
InChIKeyHKMFGKZICOYOBO-UHFFFAOYSA-N
XLogP1.28
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 83831005
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
CID 114276433
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine (CID 114276414) is N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine is COc1cccnc1N(CCOCCN)C(C)C.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine?
The InChIKey is HKMFGKZICOYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)16(8-10-18-9-6-14)13-12(17-3)5-4-7-15-13/h4-5,7,11H,6,8-10,14H2,1-3H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114276414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).