2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile

C15H28N2 — CID 55005415

IUPAC2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
SMILESCCCCN(C(C)CC)C1CCCCC1C#N
InChIInChI=1S/C15H28N2/c1-4-6-11-17(13(3)5-2)15-10-8-7-9-14(15)12-16/h13-15H,4-11H2,1-3H3
InChIKeyGCNNDKJQOUMYQZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.97
Rot. Bonds6

About 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile

2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile (PubChem CID 55005415) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
PubChem CID55005415
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
SMILESCCCCN(C(C)CC)C1CCCCC1C#N
InChIInChI=1S/C15H28N2/c1-4-6-11-17(13(3)5-2)15-10-8-7-9-14(15)12-16/h13-15H,4-11H2,1-3H3
InChIKeyGCNNDKJQOUMYQZ-UHFFFAOYSA-N
XLogP3.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile (CID 55005415) is 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile is CCCCN(C(C)CC)C1CCCCC1C#N.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is GCNNDKJQOUMYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-11-17(13(3)5-2)15-10-8-7-9-14(15)12-16/h13-15H,4-11H2,1-3H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile?
2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 236.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 55005415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).