N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine

C13H22N2O — CID 115872086

IUPACN-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
SMILESCCCC(NCCCOC)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-7-12(15-10-6-11-16-2)13-8-4-5-9-14-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyXDOIDGBIEZYDFA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds8

About N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine

N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine (PubChem CID 115872086) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
PubChem CID115872086
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
SMILESCCCC(NCCCOC)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-7-12(15-10-6-11-16-2)13-8-4-5-9-14-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyXDOIDGBIEZYDFA-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
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'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
CID 91082379
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
CID 115890101
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine (CID 115872086) is N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine is CCCC(NCCCOC)c1ccccn1.
What is the InChIKey of N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine?
The InChIKey is XDOIDGBIEZYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-12(15-10-6-11-16-2)13-8-4-5-9-14-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine?
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 115872086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).