N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine

C13H23N3 — CID 142941016

IUPACN-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCNc1cc(C)ccn1
InChIInChI=1S/C13H23N3/c1-4-5-12(3)14-8-9-16-13-10-11(2)6-7-15-13/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyDBCJRWWKRMSJRP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.58
Rot. Bonds7

About N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine

N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine (PubChem CID 142941016) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
PubChem CID142941016
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCNc1cc(C)ccn1
InChIInChI=1S/C13H23N3/c1-4-5-12(3)14-8-9-16-13-10-11(2)6-7-15-13/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyDBCJRWWKRMSJRP-UHFFFAOYSA-N
XLogP2.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N-(2-cyclopropylpropyl)-4-methylpyridin-2-amine
CID 115695351
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293621
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081298
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
CID 160709638
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine (CID 142941016) is N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine is CCCC(C)NCCNc1cc(C)ccn1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine?
The InChIKey is DBCJRWWKRMSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-5-12(3)14-8-9-16-13-10-11(2)6-7-15-13/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine?
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 142941016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).