N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine

C16H26N2 — CID 102569978

IUPACN-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
SMILESCCN1CCCC1CCCNCc1ccccc1
InChIInChI=1S/C16H26N2/c1-2-18-13-7-11-16(18)10-6-12-17-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3
InChIKeyNRWUMSNKRLMYKV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds7

About N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine

N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine (PubChem CID 102569978) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
PubChem CID102569978
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
SMILESCCN1CCCC1CCCNCc1ccccc1
InChIInChI=1S/C16H26N2/c1-2-18-13-7-11-16(18)10-6-12-17-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3
InChIKeyNRWUMSNKRLMYKV-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
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-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine (CID 102569978) is N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine is CCN1CCCC1CCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is NRWUMSNKRLMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18-13-7-11-16(18)10-6-12-17-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3.
What are the key properties of N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine?
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 102569978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).