2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine

C13H23N3 — CID 60913377

IUPAC2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
SMILESCCC(N)C(C)N(C)CCc1ccncc1
InChIInChI=1S/C13H23N3/c1-4-13(14)11(2)16(3)10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13H,4,7,10,14H2,1-3H3
InChIKeyURVJZCAZPYYMQH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.68
Rot. Bonds6

About 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine

2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine (PubChem CID 60913377) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
PubChem CID60913377
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
SMILESCCC(N)C(C)N(C)CCc1ccncc1
InChIInChI=1S/C13H23N3/c1-4-13(14)11(2)16(3)10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13H,4,7,10,14H2,1-3H3
InChIKeyURVJZCAZPYYMQH-UHFFFAOYSA-N
XLogP1.68
TPSA42.15 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-4-ylbutane-1,2-diamine
CID 65482923
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
3-[methyl(2-pyridin-4-ylethyl)amino]pentanethioamide
CID 54945704
2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
CID 64726284
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-2-ylbutane-1,2-diamine
CID 65485650
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine (CID 60913377) is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine is CCC(N)C(C)N(C)CCc1ccncc1.
What is the InChIKey of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine?
The InChIKey is URVJZCAZPYYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13(14)11(2)16(3)10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13H,4,7,10,14H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine?
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine is sourced from PubChem (CID 60913377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).