N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine

C16H27N3 — CID 107401789

IUPACN-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(CC)CC1CCC1
InChIInChI=1S/C16H27N3/c1-4-17-10-15-11-18-13(3)9-16(15)19(5-2)12-14-7-6-8-14/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyBLPTYOJLTDREPS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.13
Rot. Bonds7

About N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine

N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine (PubChem CID 107401789) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
PubChem CID107401789
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(CC)CC1CCC1
InChIInChI=1S/C16H27N3/c1-4-17-10-15-11-18-13(3)9-16(15)19(5-2)12-14-7-6-8-14/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyBLPTYOJLTDREPS-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine (CID 107401789) is N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine is CCNCc1cnc(C)cc1N(CC)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The InChIKey is BLPTYOJLTDREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-10-15-11-18-13(3)9-16(15)19(5-2)12-14-7-6-8-14/h9,11,14,17H,4-8,10,12H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine is sourced from PubChem (CID 107401789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).