N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C16H28N4 — CID 79313456

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)CCNCc1cccnc1
InChIInChI=1S/C16H28N4/c1-3-20-10-5-7-16(20)14-19(2)11-9-18-13-15-6-4-8-17-12-15/h4,6,8,12,16,18H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyVBQBKRRYQFMWHR-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.59
Rot. Bonds8

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 79313456) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID79313456
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)CCNCc1cccnc1
InChIInChI=1S/C16H28N4/c1-3-20-10-5-7-16(20)14-19(2)11-9-18-13-15-6-4-8-17-12-15/h4,6,8,12,16,18H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyVBQBKRRYQFMWHR-UHFFFAOYSA-N
XLogP1.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79312516
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814
N'-methyl-N'-(2-methylbutyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62561508
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 79313456) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCN1CCCC1CN(C)CCNCc1cccnc1.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is VBQBKRRYQFMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-20-10-5-7-16(20)14-19(2)11-9-18-13-15-6-4-8-17-12-15/h4,6,8,12,16,18H,3,5,7,9-11,13-14H2,1-2H3.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79313456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).