2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile

C15H16N8 — CID 19591850

IUPAC2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile
SMILESCC(CC(C#N)N(CC#N)CC#N)C(C#N)N(CC#N)CC#N
InChIInChI=1S/C15H16N8/c1-13(15(12-21)23(8-4-18)9-5-19)10-14(11-20)22(6-2-16)7-3-17/h13-15H,6-10H2,1H3
InChIKeyFRXCFAMNNIRFHU-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.50
Rot. Bonds9

About 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile

2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile (PubChem CID 19591850) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile.

Molecular Properties

Compound Name2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile
PubChem CID19591850
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile
SMILESCC(CC(C#N)N(CC#N)CC#N)C(C#N)N(CC#N)CC#N
InChIInChI=1S/C15H16N8/c1-13(15(12-21)23(8-4-18)9-5-19)10-14(11-20)22(6-2-16)7-3-17/h13-15H,6-10H2,1H3
InChIKeyFRXCFAMNNIRFHU-UHFFFAOYSA-N
XLogP0.50
TPSA149.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile?
The IUPAC name of 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile (CID 19591850) is 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile.
What is the SMILES notation for 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile?
The canonical SMILES for 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile is CC(CC(C#N)N(CC#N)CC#N)C(C#N)N(CC#N)CC#N.
What is the InChIKey of 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile?
The InChIKey is FRXCFAMNNIRFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-13(15(12-21)23(8-4-18)9-5-19)10-14(11-20)22(6-2-16)7-3-17/h13-15H,6-10H2,1H3.
What are the key properties of 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile?
2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile has a molecular weight of 308.35 g/mol, XLogP of 0.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile is sourced from PubChem (CID 19591850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).