N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine

C14H30N2 — CID 83227887

IUPACN-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCC(C)N1CCCNC(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-13-9-8-12(2)16(13)11-7-10-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyJYXPOUDJXBOJKS-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 83227887) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID83227887
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCC(C)N1CCCNC(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-13-9-8-12(2)16(13)11-7-10-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyJYXPOUDJXBOJKS-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
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-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
CID 83221067
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220031
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 83221004
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 83222141

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine (CID 83227887) is N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine is CCC1CCC(C)N1CCCNC(C)(C)C.
What is the InChIKey of N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is JYXPOUDJXBOJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-13-9-8-12(2)16(13)11-7-10-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83227887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).