2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile

C19H34N2 — CID 104575521

IUPAC2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
SMILESCC(C)(C)C1CCC(C(C#N)NC2CCCCCC2)CC1
InChIInChI=1S/C19H34N2/c1-19(2,3)16-12-10-15(11-13-16)18(14-20)21-17-8-6-4-5-7-9-17/h15-18,21H,4-13H2,1-3H3
InChIKeyVVUJJMSXXOUWLB-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.04
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile

2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile (PubChem CID 104575521) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
PubChem CID104575521
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
SMILESCC(C)(C)C1CCC(C(C#N)NC2CCCCCC2)CC1
InChIInChI=1S/C19H34N2/c1-19(2,3)16-12-10-15(11-13-16)18(14-20)21-17-8-6-4-5-7-9-17/h15-18,21H,4-13H2,1-3H3
InChIKeyVVUJJMSXXOUWLB-UHFFFAOYSA-N
XLogP5.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132960
2-(4-bromoanilino)-2-(4-tert-butylcyclohexyl)acetonitrile
CID 104575489
2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
CID 61002248
2-(4-tert-butylcyclohexyl)-2-(3-hydroxypropylamino)acetonitrile
CID 113428523
2-cyclohex-3-en-1-yl-2-(cyclohexylamino)acetonitrile
CID 60998877
N-[(S)-(4-tert-butylcyclohexyl)-cyanomethyl]benzenesulfinamide
CID 69435999
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
CID 161366805
2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine
CID 158517031
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile (CID 104575521) is 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile is CC(C)(C)C1CCC(C(C#N)NC2CCCCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile?
The InChIKey is VVUJJMSXXOUWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-19(2,3)16-12-10-15(11-13-16)18(14-20)21-17-8-6-4-5-7-9-17/h15-18,21H,4-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile?
2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile has a molecular weight of 290.50 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile is sourced from PubChem (CID 104575521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).