3-[(2-tert-butylcyclohexyl)amino]pentanenitrile

C15H28N2 — CID 62646565

IUPAC3-[(2-tert-butylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H28N2/c1-5-12(10-11-16)17-14-9-7-6-8-13(14)15(2,3)4/h12-14,17H,5-10H2,1-4H3
InChIKeyBOIGAPPXFPCDPD-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.87
Rot. Bonds4

About 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile

3-[(2-tert-butylcyclohexyl)amino]pentanenitrile (PubChem CID 62646565) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(2-tert-butylcyclohexyl)amino]pentanenitrile
PubChem CID62646565
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-[(2-tert-butylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H28N2/c1-5-12(10-11-16)17-14-9-7-6-8-13(14)15(2,3)4/h12-14,17H,5-10H2,1-4H3
InChIKeyBOIGAPPXFPCDPD-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile (CID 62646565) is 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile is CCC(CC#N)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile?
The InChIKey is BOIGAPPXFPCDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-12(10-11-16)17-14-9-7-6-8-13(14)15(2,3)4/h12-14,17H,5-10H2,1-4H3.
What are the key properties of 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile?
3-[(2-tert-butylcyclohexyl)amino]pentanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 62646565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).