N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine

C18H30N2 — CID 63637073

IUPACN-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
SMILESCCCN(Cc1c(C)cc(C)cc1C)C1CCCNC1
InChIInChI=1S/C18H30N2/c1-5-9-20(17-7-6-8-19-12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,19H,5-9,12-13H2,1-4H3
InChIKeyVFSMPTZYKQDNFJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.58
Rot. Bonds5

About N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine

N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine (PubChem CID 63637073) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
PubChem CID63637073
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
SMILESCCCN(Cc1c(C)cc(C)cc1C)C1CCCNC1
InChIInChI=1S/C18H30N2/c1-5-9-20(17-7-6-8-19-12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,19H,5-9,12-13H2,1-4H3
InChIKeyVFSMPTZYKQDNFJ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
CID 66182423
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine?
The IUPAC name of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine (CID 63637073) is N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine is CCCN(Cc1c(C)cc(C)cc1C)C1CCCNC1.
What is the InChIKey of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine?
The InChIKey is VFSMPTZYKQDNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-9-20(17-7-6-8-19-12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,19H,5-9,12-13H2,1-4H3.
What are the key properties of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine?
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 63637073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).