N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

C14H30N2 — CID 104595168

IUPACN-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCC(C)CN(CC)CC1(C)CCCCN1
InChIInChI=1S/C14H30N2/c1-5-13(3)11-16(6-2)12-14(4)9-7-8-10-15-14/h13,15H,5-12H2,1-4H3
InChIKeyDWOVXGWYANXVOM-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds6

About N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 104595168) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID104595168
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCC(C)CN(CC)CC1(C)CCCCN1
InChIInChI=1S/C14H30N2/c1-5-13(3)11-16(6-2)12-14(4)9-7-8-10-15-14/h13,15H,5-12H2,1-4H3
InChIKeyDWOVXGWYANXVOM-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
CID 104595227
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine
CID 79470769
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104595249
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 102994386
N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977
N-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
N-(furan-2-ylmethyl)-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104594869
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104594957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (CID 104595168) is N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is CCC(C)CN(CC)CC1(C)CCCCN1.
What is the InChIKey of N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is DWOVXGWYANXVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(3)11-16(6-2)12-14(4)9-7-8-10-15-14/h13,15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 104595168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).