N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C16H34N2O3 — CID 106616773

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCOCCOCCOC)CC1CCCN1
InChIInChI=1S/C16H34N2O3/c1-3-4-8-18(15-16-6-5-7-17-16)9-10-20-13-14-21-12-11-19-2/h16-17H,3-15H2,1-2H3
InChIKeyPNIDKEYCNBZNJC-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.52
Rot. Bonds14

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616773) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616773
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCOCCOCCOC)CC1CCCN1
InChIInChI=1S/C16H34N2O3/c1-3-4-8-18(15-16-6-5-7-17-16)9-10-20-13-14-21-12-11-19-2/h16-17H,3-15H2,1-2H3
InChIKeyPNIDKEYCNBZNJC-UHFFFAOYSA-N
XLogP1.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
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,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616773) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CCOCCOCCOC)CC1CCCN1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is PNIDKEYCNBZNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-3-4-8-18(15-16-6-5-7-17-16)9-10-20-13-14-21-12-11-19-2/h16-17H,3-15H2,1-2H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 1.52, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).