N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

C15H32N2 — CID 83222041

IUPACN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCC1CCC(C)N1CCNCCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-6-14-8-7-13(2)17(14)12-11-16-10-9-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyVXPRKPYNMNKVPB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 83222041) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID83222041
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCC1CCC(C)N1CCNCCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-6-14-8-7-13(2)17(14)12-11-16-10-9-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyVXPRKPYNMNKVPB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 83221004
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83222044
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55085604

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 83222041) is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is CCC1CCC(C)N1CCNCCC(C)(C)C.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is VXPRKPYNMNKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14-8-7-13(2)17(14)12-11-16-10-9-15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).