N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine

C19H32N2 — CID 134545182

IUPACN-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1c(C)c(C)c(CNCCN2CCCCC2)c(C)c1C
InChIInChI=1S/C19H32N2/c1-14-15(2)17(4)19(18(5)16(14)3)13-20-9-12-21-10-7-6-8-11-21/h20H,6-13H2,1-5H3
InChIKeyZMBMVDTUPFZUQM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.80
Rot. Bonds5

About N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine

N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 134545182) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID134545182
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1c(C)c(C)c(CNCCN2CCCCC2)c(C)c1C
InChIInChI=1S/C19H32N2/c1-14-15(2)17(4)19(18(5)16(14)3)13-20-9-12-21-10-7-6-8-11-21/h20H,6-13H2,1-5H3
InChIKeyZMBMVDTUPFZUQM-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine (CID 134545182) is N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine is Cc1c(C)c(C)c(CNCCN2CCCCC2)c(C)c1C.
What is the InChIKey of N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is ZMBMVDTUPFZUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14-15(2)17(4)19(18(5)16(14)3)13-20-9-12-21-10-7-6-8-11-21/h20H,6-13H2,1-5H3.
What are the key properties of N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 134545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).