N-(3-butoxypropyl)quinazolin-2-amine

C15H21N3O — CID 114789297

IUPACN-(3-butoxypropyl)quinazolin-2-amine
SMILESCCCCOCCCNc1ncc2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-2-3-10-19-11-6-9-16-15-17-12-13-7-4-5-8-14(13)18-15/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,16,17,18)
InChIKeyWNKQDMRHYQBQCX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds8

About N-(3-butoxypropyl)quinazolin-2-amine

N-(3-butoxypropyl)quinazolin-2-amine (PubChem CID 114789297) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-butoxypropyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)quinazolin-2-amine
PubChem CID114789297
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(3-butoxypropyl)quinazolin-2-amine
SMILESCCCCOCCCNc1ncc2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-2-3-10-19-11-6-9-16-15-17-12-13-7-4-5-8-14(13)18-15/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,16,17,18)
InChIKeyWNKQDMRHYQBQCX-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.25
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

N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)quinazolin-2-amine?
The IUPAC name of N-(3-butoxypropyl)quinazolin-2-amine (CID 114789297) is N-(3-butoxypropyl)quinazolin-2-amine.
What is the SMILES notation for N-(3-butoxypropyl)quinazolin-2-amine?
The canonical SMILES for N-(3-butoxypropyl)quinazolin-2-amine is CCCCOCCCNc1ncc2ccccc2n1.
What is the InChIKey of N-(3-butoxypropyl)quinazolin-2-amine?
The InChIKey is WNKQDMRHYQBQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-10-19-11-6-9-16-15-17-12-13-7-4-5-8-14(13)18-15/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,16,17,18).
What are the key properties of N-(3-butoxypropyl)quinazolin-2-amine?
N-(3-butoxypropyl)quinazolin-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)quinazolin-2-amine is sourced from PubChem (CID 114789297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).