CID 172703845

C6H16N2NaO — CID 172703845

IUPAC—
SMILESCCN(CCN)CCO.[Na]
InChIInChI=1S/C6H16N2O.Na/c1-2-8(4-3-7)5-6-9;/h9H,2-7H2,1H3;
InChIKeyDHYKGTGUFQKGLB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.12
Rot. Bonds5

About CID 172703845

CID 172703845 (PubChem CID 172703845) has the molecular formula C6H16N2NaO and a molecular weight of 155.20 g/mol.

Molecular Properties

Compound NameCID 172703845
PubChem CID172703845
Molecular FormulaC6H16N2NaO
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name—
SMILESCCN(CCN)CCO.[Na]
InChIInChI=1S/C6H16N2O.Na/c1-2-8(4-3-7)5-6-9;/h9H,2-7H2,1H3;
InChIKeyDHYKGTGUFQKGLB-UHFFFAOYSA-N
XLogP-1.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
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2-[2-(diethylamino)ethyl-ethylamino]ethanol
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2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586

Frequently Asked Questions

What is the IUPAC name of CID 172703845?
The IUPAC name of CID 172703845 (CID 172703845) is not available.
What is the SMILES notation for CID 172703845?
The canonical SMILES for CID 172703845 is CCN(CCN)CCO.[Na].
What is the InChIKey of CID 172703845?
The InChIKey is DHYKGTGUFQKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.Na/c1-2-8(4-3-7)5-6-9;/h9H,2-7H2,1H3;.
What are the key properties of CID 172703845?
CID 172703845 has a molecular weight of 155.20 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172703845 is sourced from PubChem (CID 172703845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).