N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine

C18H25N3 — CID 50956827

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCCc1ccc(CN(Cc2ccncc2)C(C)CC)nc1
InChIInChI=1S/C18H25N3/c1-4-15(3)21(13-17-8-10-19-11-9-17)14-18-7-6-16(5-2)12-20-18/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyXNKWAVGZJWFXFK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.84
Rot. Bonds7

About N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine

N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine (PubChem CID 50956827) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
PubChem CID50956827
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCCc1ccc(CN(Cc2ccncc2)C(C)CC)nc1
InChIInChI=1S/C18H25N3/c1-4-15(3)21(13-17-8-10-19-11-9-17)14-18-7-6-16(5-2)12-20-18/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyXNKWAVGZJWFXFK-UHFFFAOYSA-N
XLogP3.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
CID 46999308
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
CID 46984356
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine (CID 50956827) is N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine is CCc1ccc(CN(Cc2ccncc2)C(C)CC)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The InChIKey is XNKWAVGZJWFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-15(3)21(13-17-8-10-19-11-9-17)14-18-7-6-16(5-2)12-20-18/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 50956827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).