N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

C18H30N2 — CID 62581254

IUPACN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-5-8-19-12-17-7-6-9-20(17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,19H,5-9,12-13H2,1-4H3
InChIKeyQVQMHTYOEKHMFB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.58
Rot. Bonds6

About N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 62581254) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID62581254
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-5-8-19-12-17-7-6-9-20(17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,19H,5-9,12-13H2,1-4H3
InChIKeyQVQMHTYOEKHMFB-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
2-(bromomethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 80677057
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229
2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 112747825
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027836
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62580726
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 62581254) is N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is QVQMHTYOEKHMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-8-19-12-17-7-6-9-20(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-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62581254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).