N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine

C18H30N2 — CID 62512063

IUPACN-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2c(CC)cccc2CC)C1
InChIInChI=1S/C18H30N2/c1-4-11-19-13-15-10-12-20(14-15)18-16(5-2)8-7-9-17(18)6-3/h7-9,15,19H,4-6,10-14H2,1-3H3
InChIKeyVBILMAWFJYPAMD-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.64
Rot. Bonds7

About N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 62512063) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID62512063
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2c(CC)cccc2CC)C1
InChIInChI=1S/C18H30N2/c1-4-11-19-13-15-10-12-20(14-15)18-16(5-2)8-7-9-17(18)6-3/h7-9,15,19H,4-6,10-14H2,1-3H3
InChIKeyVBILMAWFJYPAMD-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.64
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-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 112741930
N-[[1-(3,5-dichlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513027
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 62512063) is N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(c2c(CC)cccc2CC)C1.
What is the InChIKey of N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is VBILMAWFJYPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-11-19-13-15-10-12-20(14-15)18-16(5-2)8-7-9-17(18)6-3/h7-9,15,19H,4-6,10-14H2,1-3H3.
What are the key properties of N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62512063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).