1-amino-4-tert-butylcyclohexane-1-carbonitrile

C11H20N2 — CID 16793134

IUPAC1-amino-4-tert-butylcyclohexane-1-carbonitrile
SMILESCC(C)(C)C1CCC(N)(C#N)CC1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9H,4-7,13H2,1-3H3
InChIKeyKRFKBXXGOKTNDZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds

About 1-amino-4-tert-butylcyclohexane-1-carbonitrile

1-amino-4-tert-butylcyclohexane-1-carbonitrile (PubChem CID 16793134) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-amino-4-tert-butylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-tert-butylcyclohexane-1-carbonitrile
PubChem CID16793134
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-amino-4-tert-butylcyclohexane-1-carbonitrile
SMILESCC(C)(C)C1CCC(N)(C#N)CC1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9H,4-7,13H2,1-3H3
InChIKeyKRFKBXXGOKTNDZ-UHFFFAOYSA-N
XLogP2.44
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-tert-butylcyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-tert-butylcyclohexane-1-carbonitrile (CID 16793134) is 1-amino-4-tert-butylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-tert-butylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-tert-butylcyclohexane-1-carbonitrile is CC(C)(C)C1CCC(N)(C#N)CC1.
What is the InChIKey of 1-amino-4-tert-butylcyclohexane-1-carbonitrile?
The InChIKey is KRFKBXXGOKTNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9H,4-7,13H2,1-3H3.
What are the key properties of 1-amino-4-tert-butylcyclohexane-1-carbonitrile?
1-amino-4-tert-butylcyclohexane-1-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-tert-butylcyclohexane-1-carbonitrile is sourced from PubChem (CID 16793134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).