N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C14H23N3O — CID 62554933

IUPACN'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccn1)C1CC1
InChIInChI=1S/C14H23N3O/c1-18-11-10-17(14-5-6-14)9-8-15-12-13-4-2-3-7-16-13/h2-4,7,14-15H,5-6,8-12H2,1H3
InChIKeyPZQFHKMIPQHHQD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds9

About N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62554933) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID62554933
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccn1)C1CC1
InChIInChI=1S/C14H23N3O/c1-18-11-10-17(14-5-6-14)9-8-15-12-13-4-2-3-7-16-13/h2-4,7,14-15H,5-6,8-12H2,1H3
InChIKeyPZQFHKMIPQHHQD-UHFFFAOYSA-N
XLogP1.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
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

N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557048
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-cyclopropyl-2-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)acetamide
CID 79281792
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63274981
N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 15905284
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970488
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 62554933) is N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is COCCN(CCNCc1ccccn1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PZQFHKMIPQHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-11-10-17(14-5-6-14)9-8-15-12-13-4-2-3-7-16-13/h2-4,7,14-15H,5-6,8-12H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).