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

C14H26N3P — CID 177197146

IUPACN'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCCP(CCC)NCCNCc1ccccn1
InChIInChI=1S/C14H26N3P/c1-3-11-18(12-4-2)17-10-9-15-13-14-7-5-6-8-16-14/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeySGLJNQTWNHLYDK-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.98
Rot. Bonds10

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

N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 177197146) has the molecular formula C14H26N3P and a molecular weight of 267.36 g/mol. Its IUPAC name is N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID177197146
Molecular FormulaC14H26N3P
Molecular Weight267.36 g/mol
Exact Mass267.19
IUPAC NameN'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCCP(CCC)NCCNCc1ccccn1
InChIInChI=1S/C14H26N3P/c1-3-11-18(12-4-2)17-10-9-15-13-14-7-5-6-8-16-14/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeySGLJNQTWNHLYDK-UHFFFAOYSA-N
XLogP2.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
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-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109

Frequently Asked Questions

What is the IUPAC name of N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 177197146) is N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CCCP(CCC)NCCNCc1ccccn1.
What is the InChIKey of N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SGLJNQTWNHLYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3P/c1-3-11-18(12-4-2)17-10-9-15-13-14-7-5-6-8-16-14/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 267.36 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 177197146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).