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

C16H26N2 — CID 66182423

IUPACN-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
SMILESCCCN(Cc1c(C)cc(C)cc1C)C1CNC1
InChIInChI=1S/C16H26N2/c1-5-6-18(15-9-17-10-15)11-16-13(3)7-12(2)8-14(16)4/h7-8,15,17H,5-6,9-11H2,1-4H3
InChIKeyXTLYNLKKHPAFIA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.80
Rot. Bonds5

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

N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine (PubChem CID 66182423) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
PubChem CID66182423
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
SMILESCCCN(Cc1c(C)cc(C)cc1C)C1CNC1
InChIInChI=1S/C16H26N2/c1-5-6-18(15-9-17-10-15)11-16-13(3)7-12(2)8-14(16)4/h7-8,15,17H,5-6,9-11H2,1-4H3
InChIKeyXTLYNLKKHPAFIA-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
N'-cyclopropyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62544891
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
3-[cyclopropyl-[(2,4,6-trimethylphenyl)methyl]amino]propanethioamide
CID 62545066
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
CID 79115828

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine?
The IUPAC name of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine (CID 66182423) is N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine?
The canonical SMILES for N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine is CCCN(Cc1c(C)cc(C)cc1C)C1CNC1.
What is the InChIKey of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine?
The InChIKey is XTLYNLKKHPAFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-6-18(15-9-17-10-15)11-16-13(3)7-12(2)8-14(16)4/h7-8,15,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine?
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.80, 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]azetidin-3-amine is sourced from PubChem (CID 66182423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).