N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine

C19H32N2 — CID 79060679

IUPACN-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCNC(c1cccc(C)c1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C19H32N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h10-12,15,18,20H,5-9,13-14H2,1-4H3
InChIKeyMQINJLIQOOIXLC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine

N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 79060679) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
PubChem CID79060679
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCNC(c1cccc(C)c1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C19H32N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h10-12,15,18,20H,5-9,13-14H2,1-4H3
InChIKeyMQINJLIQOOIXLC-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
CID 105241501
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056235
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
[1-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine (CID 79060679) is N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine is CCNC(c1cccc(C)c1)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is MQINJLIQOOIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h10-12,15,18,20H,5-9,13-14H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine?
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 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-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).