N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine

C14H25N3 — CID 22093246

IUPACN',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1cc(C)ccn1
InChIInChI=1S/C14H25N3/c1-4-17(5-2)11-7-6-9-15-14-12-13(3)8-10-16-14/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeyWQGCMRJVBNRQFJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.92
Rot. Bonds8

About N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine

N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine (PubChem CID 22093246) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
PubChem CID22093246
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1cc(C)ccn1
InChIInChI=1S/C14H25N3/c1-4-17(5-2)11-7-6-9-15-14-12-13(3)8-10-16-14/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeyWQGCMRJVBNRQFJ-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
CID 160709638
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
CID 24711843
4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
CID 162756422
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
CID 142941016
N,N-dimethyl-2-[(4-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 106338668
N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 143313630

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine (CID 22093246) is N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine is CCN(CC)CCCCNc1cc(C)ccn1.
What is the InChIKey of N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine?
The InChIKey is WQGCMRJVBNRQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17(5-2)11-7-6-9-15-14-12-13(3)8-10-16-14/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16).
What are the key properties of N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine?
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine is sourced from PubChem (CID 22093246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).