3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine

C18H30N2 — CID 60694080

IUPAC3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H30N2/c1-18(2,3)11-12-19-15-17(20-13-7-8-14-20)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-15H2,1-3H3
InChIKeyNOHKNKHLMPEOJQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine

3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine (PubChem CID 60694080) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
PubChem CID60694080
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H30N2/c1-18(2,3)11-12-19-15-17(20-13-7-8-14-20)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-15H2,1-3H3
InChIKeyNOHKNKHLMPEOJQ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
N'-(3,3-dimethylbutyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 55023556
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-methyl-N-[2-phenyl-2-(1,4-thiazepan-4-yl)ethyl]propan-1-amine
CID 62412057
N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 107234697
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
CID 62417521
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine (CID 60694080) is 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine is CC(C)(C)CCNCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine?
The InChIKey is NOHKNKHLMPEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)11-12-19-15-17(20-13-7-8-14-20)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-15H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine?
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 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-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine is sourced from PubChem (CID 60694080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).