N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine

C14H31N3O — CID 106617646

IUPACN,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CCOC)CC1CCCN1
InChIInChI=1S/C14H31N3O/c1-4-16(5-2)9-10-17(11-12-18-3)13-14-7-6-8-15-14/h14-15H,4-13H2,1-3H3
InChIKeyGNHYOICSWSCBAA-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds10

About N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine

N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 106617646) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID106617646
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CCOC)CC1CCCN1
InChIInChI=1S/C14H31N3O/c1-4-16(5-2)9-10-17(11-12-18-3)13-14-7-6-8-15-14/h14-15H,4-13H2,1-3H3
InChIKeyGNHYOICSWSCBAA-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(2-methoxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106606339
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine (CID 106617646) is N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine is CCN(CC)CCN(CCOC)CC1CCCN1.
What is the InChIKey of N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GNHYOICSWSCBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-16(5-2)9-10-17(11-12-18-3)13-14-7-6-8-15-14/h14-15H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine?
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 106617646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).