2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine

C14H30N2 — CID 115210501

IUPAC2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine
SMILESCC(C)CC(C)(C)CNCCC1CCCN1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(3,4)11-15-9-7-13-6-5-8-16-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyUEPVWGLZBCSABY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds7

About 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine

2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine (PubChem CID 115210501) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine
PubChem CID115210501
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine
SMILESCC(C)CC(C)(C)CNCCC1CCCN1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(3,4)11-15-9-7-13-6-5-8-16-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyUEPVWGLZBCSABY-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210522
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115210503
2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210512
2-methyl-2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210518
2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine?
The IUPAC name of 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine (CID 115210501) is 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine?
The canonical SMILES for 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine is CC(C)CC(C)(C)CNCCC1CCCN1.
What is the InChIKey of 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine?
The InChIKey is UEPVWGLZBCSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-14(3,4)11-15-9-7-13-6-5-8-16-13/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine?
2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 115210501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).