5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile

C15H28N2 — CID 65257368

IUPAC5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CCCN(CCCC(C)(C)C#N)CC1
InChIInChI=1S/C15H28N2/c1-4-14-7-5-10-17(12-8-14)11-6-9-15(2,3)13-16/h14H,4-12H2,1-3H3
InChIKeySZDNGMHGMKLOLT-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.83
Rot. Bonds5

About 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257368) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257368
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CCCN(CCCC(C)(C)C#N)CC1
InChIInChI=1S/C15H28N2/c1-4-14-7-5-10-17(12-8-14)11-6-9-15(2,3)13-16/h14H,4-12H2,1-3H3
InChIKeySZDNGMHGMKLOLT-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
CID 106803381
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
CID 106803746
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile (CID 65257368) is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile is CCC1CCCN(CCCC(C)(C)C#N)CC1.
What is the InChIKey of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is SZDNGMHGMKLOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-14-7-5-10-17(12-8-14)11-6-9-15(2,3)13-16/h14H,4-12H2,1-3H3.
What are the key properties of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile?
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).