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

C18H26N4 — CID 58997062

IUPACN',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
SMILESCC(c1ccccn1)N(CCCCN)C(C)c1ccccn1
InChIInChI=1S/C18H26N4/c1-15(17-9-3-6-12-20-17)22(14-8-5-11-19)16(2)18-10-4-7-13-21-18/h3-4,6-7,9-10,12-13,15-16H,5,8,11,14,19H2,1-2H3
InChIKeyZTGCKWKPBVUNIW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.34
Rot. Bonds8

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

N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine (PubChem CID 58997062) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
PubChem CID58997062
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
SMILESCC(c1ccccn1)N(CCCCN)C(C)c1ccccn1
InChIInChI=1S/C18H26N4/c1-15(17-9-3-6-12-20-17)22(14-8-5-11-19)16(2)18-10-4-7-13-21-18/h3-4,6-7,9-10,12-13,15-16H,5,8,11,14,19H2,1-2H3
InChIKeyZTGCKWKPBVUNIW-UHFFFAOYSA-N
XLogP3.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 91000571
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
2-pyridin-2-ylpropan-1-amine
CID 21481533
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 54952613
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-methyl-1-pyridin-2-ylpropyl)butane-1,4-diamine
CID 53318415
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 112519052
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine?
The IUPAC name of N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine (CID 58997062) is N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine?
The canonical SMILES for N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine is CC(c1ccccn1)N(CCCCN)C(C)c1ccccn1.
What is the InChIKey of N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine?
The InChIKey is ZTGCKWKPBVUNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-15(17-9-3-6-12-20-17)22(14-8-5-11-19)16(2)18-10-4-7-13-21-18/h3-4,6-7,9-10,12-13,15-16H,5,8,11,14,19H2,1-2H3.
What are the key properties of N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine?
N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 58997062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).