2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile

C17H30N2 — CID 65253736

IUPAC2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H30N2/c1-15(2,12-18)8-6-10-19-14-16(3,4)13-7-9-17(14,5)11-13/h13-14,19H,6-11H2,1-5H3
InChIKeyMLSHGXPTJDXGOQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.12
Rot. Bonds5

About 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile

2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile (PubChem CID 65253736) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile
PubChem CID65253736
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H30N2/c1-15(2,12-18)8-6-10-19-14-16(3,4)13-7-9-17(14,5)11-13/h13-14,19H,6-11H2,1-5H3
InChIKeyMLSHGXPTJDXGOQ-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile (CID 65253736) is 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile is CC(C)(C#N)CCCNC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile?
The InChIKey is MLSHGXPTJDXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-15(2,12-18)8-6-10-19-14-16(3,4)13-7-9-17(14,5)11-13/h13-14,19H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile?
2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile has a molecular weight of 262.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile is sourced from PubChem (CID 65253736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).