(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile

C10H14N4 — CID 18664114

IUPAC(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile
SMILESCC(C)C[C@@H](C#N)N(CC#N)CC#N
InChIInChI=1S/C10H14N4/c1-9(2)7-10(8-13)14(5-3-11)6-4-12/h9-10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyFMFWZUUQIRROJA-JTQLQIEISA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds5

About (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile

(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile (PubChem CID 18664114) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile.

Molecular Properties

Compound Name(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile
PubChem CID18664114
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile
SMILESCC(C)C[C@@H](C#N)N(CC#N)CC#N
InChIInChI=1S/C10H14N4/c1-9(2)7-10(8-13)14(5-3-11)6-4-12/h9-10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyFMFWZUUQIRROJA-JTQLQIEISA-N
XLogP1.27
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile?
The IUPAC name of (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile (CID 18664114) is (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile.
What is the SMILES notation for (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile?
The canonical SMILES for (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile is CC(C)C[C@@H](C#N)N(CC#N)CC#N.
What is the InChIKey of (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile?
The InChIKey is FMFWZUUQIRROJA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N4/c1-9(2)7-10(8-13)14(5-3-11)6-4-12/h9-10H,5-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile?
(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile is sourced from PubChem (CID 18664114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).