N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C16H34N2O — CID 106616758

IUPACN-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCOCCC(C)C)CC1CCCN1
InChIInChI=1S/C16H34N2O/c1-4-5-10-18(14-16-7-6-9-17-16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyWBZKEPSBTXDLMQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds11

About N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616758) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616758
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCOCCC(C)C)CC1CCCN1
InChIInChI=1S/C16H34N2O/c1-4-5-10-18(14-16-7-6-9-17-16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyWBZKEPSBTXDLMQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616758) is N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CCOCCC(C)C)CC1CCCN1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is WBZKEPSBTXDLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-5-10-18(14-16-7-6-9-17-16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).