2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine

C14H31N3 — CID 62430609

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-14(11-15-6-2)17-9-7-13(8-10-17)12-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyBXQSPIFWSALLMH-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine (PubChem CID 62430609) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
PubChem CID62430609
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-14(11-15-6-2)17-9-7-13(8-10-17)12-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyBXQSPIFWSALLMH-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62446735
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
N-ethyl-2-(3-ethylpiperidin-1-yl)butan-1-amine
CID 62433974
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 79409791
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
CID 115562136
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
CID 54985868
2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine
CID 63163660
N-ethyl-2-(4-methoxypiperidin-1-yl)pentan-1-amine
CID 83054819
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine (CID 62430609) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine is CCNCC(CC)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine?
The InChIKey is BXQSPIFWSALLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14(11-15-6-2)17-9-7-13(8-10-17)12-16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine is sourced from PubChem (CID 62430609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).