4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine

C15H19N3O — CID 83061179

IUPAC4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
SMILESCN(CC1CCCO1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-18(10-11-4-3-9-19-11)14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3
InChIKeyTYFMALJAXKVFOO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds3

About 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine

4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine (PubChem CID 83061179) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
PubChem CID83061179
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
SMILESCN(CC1CCCO1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-18(10-11-4-3-9-19-11)14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3
InChIKeyTYFMALJAXKVFOO-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
5-N-methyl-5-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 63726625
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
N,2-dimethyl-8-nitro-N-(oxan-2-ylmethyl)quinolin-4-amine
CID 133436864

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine (CID 83061179) is 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine is CN(CC1CCCO1)c1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine?
The InChIKey is TYFMALJAXKVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(10-11-4-3-9-19-11)14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3.
What are the key properties of 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine?
4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine is sourced from PubChem (CID 83061179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).