2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol

C16H34N2O — CID 106607007

IUPAC2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCCCCCC(C)N(CCO)CC1CCCN1
InChIInChI=1S/C16H34N2O/c1-3-4-5-6-7-9-15(2)18(12-13-19)14-16-10-8-11-17-16/h15-17,19H,3-14H2,1-2H3
InChIKeyWRRLKBUFSPQHGD-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.78
Rot. Bonds11

About 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106607007) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106607007
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCCCCCC(C)N(CCO)CC1CCCN1
InChIInChI=1S/C16H34N2O/c1-3-4-5-6-7-9-15(2)18(12-13-19)14-16-10-8-11-17-16/h15-17,19H,3-14H2,1-2H3
InChIKeyWRRLKBUFSPQHGD-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117
6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
CID 106605959
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168

Frequently Asked Questions

What is the IUPAC name of 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106607007) is 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol is CCCCCCCC(C)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is WRRLKBUFSPQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-4-5-6-7-9-15(2)18(12-13-19)14-16-10-8-11-17-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106607007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).