N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

C16H23N5 — CID 12029921

IUPACN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc(CNCCNCCNCc2ccccn2)nc1
InChIInChI=1S/C16H23N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1-8,17-19H,9-14H2
InChIKeyROCPIINGAIULFR-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.95
Rot. Bonds10

About N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 12029921) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID12029921
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc(CNCCNCCNCc2ccccn2)nc1
InChIInChI=1S/C16H23N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1-8,17-19H,9-14H2
InChIKeyROCPIINGAIULFR-UHFFFAOYSA-N
XLogP0.95
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177197146
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
3-[2-[(pyridin-2-ylmethylamino)methylamino]ethylamino]propanoic acid
CID 54141487

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 12029921) is N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is c1ccc(CNCCNCCNCc2ccccn2)nc1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is ROCPIINGAIULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1-8,17-19H,9-14H2.
What are the key properties of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 0.95, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 12029921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).