2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

C13H21N3O — CID 113367846

IUPAC2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-9-12(3-6-15-13)16(2)10-11-4-7-17-8-5-11/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,14,15)
InChIKeyFELBMEGRINDVRX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (PubChem CID 113367846) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
PubChem CID113367846
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-9-12(3-6-15-13)16(2)10-11-4-7-17-8-5-11/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,14,15)
InChIKeyFELBMEGRINDVRX-UHFFFAOYSA-N
XLogP1.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
n-Isobutyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44546966
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 118725541
4-(Oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164610686
2-(1-Piperidinyl)-4-pyridinamine
CID 1236666
2-(Morpholin-4-yl)pyridin-4-amine
CID 23818810
(1-(6-Aminopyridin-3-yl)piperidin-4-yl)methanol
CID 43133148
N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine
CID 44546968
N-butyl-4-piperazin-1-ylpyridin-2-amine
CID 44546969
N-(2-Methylpropyl)-4-piperazin-1-ylpyridin-2-amine dihydrochloride
CID 44546971
[1-(3-Aminopyridin-2-yl)piperidin-4-yl]methanol
CID 43133152

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (CID 113367846) is 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is CNc1cc(N(C)CC2CCOCC2)ccn1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The InChIKey is FELBMEGRINDVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-13-9-12(3-6-15-13)16(2)10-11-4-7-17-8-5-11/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,14,15).
What are the key properties of 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).