N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine

C19H32N2 — CID 62591476

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C)c(CN2CCCC(CNC(C)(C)C)C2)c1
InChIInChI=1S/C19H32N2/c1-15-8-9-16(2)18(11-15)14-21-10-6-7-17(13-21)12-20-19(3,4)5/h8-9,11,17,20H,6-7,10,12-14H2,1-5H3
InChIKeyBYMVXGJMKWMFGM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.90
Rot. Bonds4

About N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62591476) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62591476
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C)c(CN2CCCC(CNC(C)(C)C)C2)c1
InChIInChI=1S/C19H32N2/c1-15-8-9-16(2)18(11-15)14-21-10-6-7-17(13-21)12-20-19(3,4)5/h8-9,11,17,20H,6-7,10,12-14H2,1-5H3
InChIKeyBYMVXGJMKWMFGM-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63853047
4-[[3-[(tert-butylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 63847968
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494
3-(2-chloroethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800550
3-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800338
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62591476) is N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(C)c(CN2CCCC(CNC(C)(C)C)C2)c1.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BYMVXGJMKWMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-8-9-16(2)18(11-15)14-21-10-6-7-17(13-21)12-20-19(3,4)5/h8-9,11,17,20H,6-7,10,12-14H2,1-5H3.
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62591476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).