N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine

C13H28N2 — CID 63122896

IUPACN-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCCCN(CC)CC1(C)CCNCC1
InChIInChI=1S/C13H28N2/c1-4-6-11-15(5-2)12-13(3)7-9-14-10-8-13/h14H,4-12H2,1-3H3
InChIKeyASGXXPQVGYRZHS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine

N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine (PubChem CID 63122896) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
PubChem CID63122896
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCCCN(CC)CC1(C)CCNCC1
InChIInChI=1S/C13H28N2/c1-4-6-11-15(5-2)12-13(3)7-9-14-10-8-13/h14H,4-12H2,1-3H3
InChIKeyASGXXPQVGYRZHS-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
2-methyl-N-[(4-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)propan-1-amine
CID 63122710
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
CID 120720412
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120899081
4-[[ethyl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
CID 126846900
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N-ethyl-2-methoxy-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine (CID 63122896) is N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine is CCCCN(CC)CC1(C)CCNCC1.
What is the InChIKey of N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine?
The InChIKey is ASGXXPQVGYRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-11-15(5-2)12-13(3)7-9-14-10-8-13/h14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine?
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 63122896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).