N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

C18H31N3 — CID 61240883

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCC(C)CC2)c(C)n1
InChIInChI=1S/C18H31N3/c1-13-6-9-21(10-7-13)11-8-19-16(4)18-14(2)12-15(3)20-17(18)5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyDZVMROMGHLVOBU-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (PubChem CID 61240883) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
PubChem CID61240883
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCC(C)CC2)c(C)n1
InChIInChI=1S/C18H31N3/c1-13-6-9-21(10-7-13)11-8-19-16(4)18-14(2)12-15(3)20-17(18)5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyDZVMROMGHLVOBU-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917504
3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 113351582
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
1,3-dimethyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]piperidin-4-amine
CID 114503274
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114399660
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884
2,4-dimethyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]cyclohexan-1-amine
CID 63996236
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990558
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
3,6-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazin-2-amine
CID 65416240

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (CID 61240883) is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is Cc1cc(C)c(C(C)NCCN2CCC(C)CC2)c(C)n1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The InChIKey is DZVMROMGHLVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13-6-9-21(10-7-13)11-8-19-16(4)18-14(2)12-15(3)20-17(18)5/h12-13,16,19H,6-11H2,1-5H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 61240883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).