4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine

C12H19N3O — CID 155587886

IUPAC4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
SMILESNc1cc(OCCCN2CCCC2)ccn1
InChIInChI=1S/C12H19N3O/c13-12-10-11(4-5-14-12)16-9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H2,13,14)
InChIKeyFCKRBEFIXWDCMW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds5

About 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine

4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine (PubChem CID 155587886) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
PubChem CID155587886
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
SMILESNc1cc(OCCCN2CCCC2)ccn1
InChIInChI=1S/C12H19N3O/c13-12-10-11(4-5-14-12)16-9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H2,13,14)
InChIKeyFCKRBEFIXWDCMW-UHFFFAOYSA-N
XLogP1.53
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
4-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethoxy]pyridin-2-amine
CID 155587706
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
CID 155587801
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine
CID 153492411
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine (CID 155587886) is 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine is Nc1cc(OCCCN2CCCC2)ccn1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine?
The InChIKey is FCKRBEFIXWDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-12-10-11(4-5-14-12)16-9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H2,13,14).
What are the key properties of 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine?
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine is sourced from PubChem (CID 155587886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).