3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine

C12H20N2O — CID 119027539

IUPAC3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine
SMILESCC(C)CCNCCOc1ccccn1
InChIInChI=1S/C12H20N2O/c1-11(2)6-8-13-9-10-15-12-5-3-4-7-14-12/h3-5,7,11,13H,6,8-10H2,1-2H3
InChIKeyCPLOEIKIEQYZLH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.10
Rot. Bonds7

About 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine

3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine (PubChem CID 119027539) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine
PubChem CID119027539
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine
SMILESCC(C)CCNCCOc1ccccn1
InChIInChI=1S/C12H20N2O/c1-11(2)6-8-13-9-10-15-12-5-3-4-7-14-12/h3-5,7,11,13H,6,8-10H2,1-2H3
InChIKeyCPLOEIKIEQYZLH-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
CID 21321292
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
CID 15764663
2-(2-chloroethoxy)pyridine
CID 22624993
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine (CID 119027539) is 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine is CC(C)CCNCCOc1ccccn1.
What is the InChIKey of 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
The InChIKey is CPLOEIKIEQYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)6-8-13-9-10-15-12-5-3-4-7-14-12/h3-5,7,11,13H,6,8-10H2,1-2H3.
What are the key properties of 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine?
3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 119027539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).