N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine

C14H23ClN2 — CID 79254971

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(Cl)ccn1
InChIInChI=1S/C14H23ClN2/c1-4-12(5-2)10-17(6-3)11-14-9-13(15)7-8-16-14/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyDLZGQMUNCOCXPI-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.99
Rot. Bonds7

About N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine

N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 79254971) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine
PubChem CID79254971
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(Cl)ccn1
InChIInChI=1S/C14H23ClN2/c1-4-12(5-2)10-17(6-3)11-14-9-13(15)7-8-16-14/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyDLZGQMUNCOCXPI-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine (CID 79254971) is N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)Cc1cc(Cl)ccn1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is DLZGQMUNCOCXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-12(5-2)10-17(6-3)11-14-9-13(15)7-8-16-14/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 254.80 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 79254971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).