N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine

C13H23N3 — CID 116960365

IUPACN,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccccn1
InChIInChI=1S/C13H23N3/c1-10(2)11(9-14-3)13(15-4)12-7-5-6-8-16-12/h5-8,10-11,13-15H,9H2,1-4H3
InChIKeyXZRKLLAYLBWUFZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.83
Rot. Bonds6

About N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine

N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine (PubChem CID 116960365) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
PubChem CID116960365
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccccn1
InChIInChI=1S/C13H23N3/c1-10(2)11(9-14-3)13(15-4)12-7-5-6-8-16-12/h5-8,10-11,13-15H,9H2,1-4H3
InChIKeyXZRKLLAYLBWUFZ-UHFFFAOYSA-N
XLogP1.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
2-(2-fluorophenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116824647
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
N'-ethyl-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 116950392
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine (CID 116960365) is N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(NC)c1ccccn1.
What is the InChIKey of N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is XZRKLLAYLBWUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)11(9-14-3)13(15-4)12-7-5-6-8-16-12/h5-8,10-11,13-15H,9H2,1-4H3.
What are the key properties of N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).