5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile

C19H32N2 — CID 79999358

IUPAC5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32N2/c1-16(2,14-20)6-5-7-21-19-10-15-8-17(3,12-19)11-18(4,9-15)13-19/h15,21H,5-13H2,1-4H3
InChIKeySKESXXOMDHCIEY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.65
Rot. Bonds5

About 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile

5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 79999358) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile
PubChem CID79999358
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32N2/c1-16(2,14-20)6-5-7-21-19-10-15-8-17(3,12-19)11-18(4,9-15)13-19/h15,21H,5-13H2,1-4H3
InChIKeySKESXXOMDHCIEY-UHFFFAOYSA-N
XLogP4.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-pent-4-enyladamantan-1-amine
CID 79999138
N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
CID 107445843
4-[(3,5-dimethyl-1-adamantyl)amino]butanoic acid
CID 79998249
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine
CID 79999567
2-[1-[[(3,5-dimethyl-1-adamantyl)amino]methyl]cyclopropyl]acetonitrile
CID 79998720
2-cyano-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998257
N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
CID 79998469
2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
CID 79358554
3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
CID 106452215
3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine
CID 17157081
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
CID 79997666

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile (CID 79999358) is 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is SKESXXOMDHCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2,14-20)6-5-7-21-19-10-15-8-17(3,12-19)11-18(4,9-15)13-19/h15,21H,5-13H2,1-4H3.
What are the key properties of 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile?
5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 288.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 79999358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).