N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine

C19H30N2 — CID 83997030

IUPACN-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CC(C)CC(NCC3CCC3)C2)c1
InChIInChI=1S/C19H30N2/c1-15-5-3-8-18(9-15)13-21-12-16(2)10-19(14-21)20-11-17-6-4-7-17/h3,5,8-9,16-17,19-20H,4,6-7,10-14H2,1-2H3
InChIKeyLJZYEPXEFLRLLL-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.60
Rot. Bonds5

About N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine

N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine (PubChem CID 83997030) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
PubChem CID83997030
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CC(C)CC(NCC3CCC3)C2)c1
InChIInChI=1S/C19H30N2/c1-15-5-3-8-18(9-15)13-21-12-16(2)10-19(14-21)20-11-17-6-4-7-17/h3,5,8-9,16-17,19-20H,4,6-7,10-14H2,1-2H3
InChIKeyLJZYEPXEFLRLLL-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine (CID 83997030) is N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine is Cc1cccc(CN2CC(C)CC(NCC3CCC3)C2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is LJZYEPXEFLRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-5-3-8-18(9-15)13-21-12-16(2)10-19(14-21)20-11-17-6-4-7-17/h3,5,8-9,16-17,19-20H,4,6-7,10-14H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 83997030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).