2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine

C18H30N2 — CID 83010343

IUPAC2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
SMILESCc1cccc(CCC(C)NN2C(C)CCCC2C)c1
InChIInChI=1S/C18H30N2/c1-14-7-5-10-18(13-14)12-11-15(2)19-20-16(3)8-6-9-17(20)4/h5,7,10,13,15-17,19H,6,8-9,11-12H2,1-4H3
InChIKeyKCXDLYVFEUSSQH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.08
Rot. Bonds5

About 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine

2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine (PubChem CID 83010343) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
PubChem CID83010343
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
SMILESCc1cccc(CCC(C)NN2C(C)CCCC2C)c1
InChIInChI=1S/C18H30N2/c1-14-7-5-10-18(13-14)12-11-15(2)19-20-16(3)8-6-9-17(20)4/h5,7,10,13,15-17,19H,6,8-9,11-12H2,1-4H3
InChIKeyKCXDLYVFEUSSQH-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine (CID 83010343) is 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine is Cc1cccc(CCC(C)NN2C(C)CCCC2C)c1.
What is the InChIKey of 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine?
The InChIKey is KCXDLYVFEUSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-7-5-10-18(13-14)12-11-15(2)19-20-16(3)8-6-9-17(20)4/h5,7,10,13,15-17,19H,6,8-9,11-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine?
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine is sourced from PubChem (CID 83010343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).