2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine

C13H23N3 — CID 115880420

IUPAC2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)c1ccncc1)N(C)C
InChIInChI=1S/C13H23N3/c1-5-13(16(3)4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,13,15H,5,10H2,1-4H3
InChIKeyNOXZSOCWVOXUTC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.07
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine

2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 115880420) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID115880420
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)c1ccncc1)N(C)C
InChIInChI=1S/C13H23N3/c1-5-13(16(3)4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,13,15H,5,10H2,1-4H3
InChIKeyNOXZSOCWVOXUTC-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dimethyl-1-N-(1-pyridin-3-ylethyl)butane-1,2-diamine
CID 115886281
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine (CID 115880420) is 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine is CCC(CNC(C)c1ccncc1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is NOXZSOCWVOXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-13(16(3)4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,13,15H,5,10H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 115880420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).