3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine

C18H30N2 — CID 62559929

IUPAC3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
SMILESCC(C)(C)CCNCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-18(2,3)10-11-19-12-14-20-13-9-17(15-20)16-7-5-4-6-8-16/h4-8,17,19H,9-15H2,1-3H3
InChIKeyLCMQPEAVZROTRY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.50
Rot. Bonds6

About 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine

3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine (PubChem CID 62559929) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
PubChem CID62559929
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
SMILESCC(C)(C)CCNCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-18(2,3)10-11-19-12-14-20-13-9-17(15-20)16-7-5-4-6-8-16/h4-8,17,19H,9-15H2,1-3H3
InChIKeyLCMQPEAVZROTRY-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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

2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine (CID 62559929) is 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine is CC(C)(C)CCNCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine?
The InChIKey is LCMQPEAVZROTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)10-11-19-12-14-20-13-9-17(15-20)16-7-5-4-6-8-16/h4-8,17,19H,9-15H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine?
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62559929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).