CID 172753617

C6H16N2Na — CID 172753617

IUPAC—
SMILESCCC(C)NCCN.[Na]
InChIInChI=1S/C6H16N2.Na/c1-3-6(2)8-5-4-7;/h6,8H,3-5,7H2,1-2H3;
InChIKeyKSHSVTHXHGPZEH-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.05
Rot. Bonds4

About CID 172753617

CID 172753617 (PubChem CID 172753617) has the molecular formula C6H16N2Na and a molecular weight of 139.20 g/mol.

Molecular Properties

Compound NameCID 172753617
PubChem CID172753617
Molecular FormulaC6H16N2Na
Molecular Weight139.20 g/mol
Exact Mass139.12
IUPAC Name—
SMILESCCC(C)NCCN.[Na]
InChIInChI=1S/C6H16N2.Na/c1-3-6(2)8-5-4-7;/h6,8H,3-5,7H2,1-2H3;
InChIKeyKSHSVTHXHGPZEH-UHFFFAOYSA-N
XLogP-0.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Isopropylethylenediamine
CID 88098
1-Propylethylenediamine
CID 66073
N,N'-Diisopropylethylenediamine
CID 77628
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N,N'-Dipropylethylenediamine
CID 469899
N-Isopropylpropane-1,3-diamine
CID 76888
2-Amino-1,1-dimethylethylisopropylamine
CID 79532
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
N-Butylethylenediamine
CID 519668
2,3,5,6-Tetramethylpiperazine
CID 521970
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558
N,N,N'-Triisopropylethylenediamine
CID 66797

Frequently Asked Questions

What is the IUPAC name of CID 172753617?
The IUPAC name of CID 172753617 (CID 172753617) is not available.
What is the SMILES notation for CID 172753617?
The canonical SMILES for CID 172753617 is CCC(C)NCCN.[Na].
What is the InChIKey of CID 172753617?
The InChIKey is KSHSVTHXHGPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.Na/c1-3-6(2)8-5-4-7;/h6,8H,3-5,7H2,1-2H3;.
What are the key properties of CID 172753617?
CID 172753617 has a molecular weight of 139.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172753617 is sourced from PubChem (CID 172753617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).