5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile

C17H32N2 — CID 65257423

IUPAC5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2/c1-16(2,3)15-8-6-11-19(13-9-15)12-7-10-17(4,5)14-18/h15H,6-13H2,1-5H3
InChIKeyBDKULMZPBCGMMN-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.46
Rot. Bonds4

About 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile

5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257423) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257423
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2/c1-16(2,3)15-8-6-11-19(13-9-15)12-7-10-17(4,5)14-18/h15H,6-13H2,1-5H3
InChIKeyBDKULMZPBCGMMN-UHFFFAOYSA-N
XLogP4.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64826441
2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 65257365

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile (CID 65257423) is 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is BDKULMZPBCGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-16(2,3)15-8-6-11-19(13-9-15)12-7-10-17(4,5)14-18/h15H,6-13H2,1-5H3.
What are the key properties of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile?
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 264.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).