2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile

C16H31N3 — CID 106803746

IUPAC2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
SMILESCCCC1CCCN(CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C16H31N3/c1-3-7-15-8-5-11-19(13-9-15)12-6-10-16(18,4-2)14-17/h15H,3-13,18H2,1-2H3
InChIKeyXYLZKXJCLDDLPI-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.30
Rot. Bonds7

About 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile

2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile (PubChem CID 106803746) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
PubChem CID106803746
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
SMILESCCCC1CCCN(CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C16H31N3/c1-3-7-15-8-5-11-19(13-9-15)12-6-10-16(18,4-2)14-17/h15H,3-13,18H2,1-2H3
InChIKeyXYLZKXJCLDDLPI-UHFFFAOYSA-N
XLogP3.30
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Tert-butylamino)-1-methylazepane-3-carbonitrile
CID 22972975
4-(Tert-butylamino)-1-methylazepane-4-carbonitrile
CID 22972978
1-Methyl-4-(methylamino)azepane-4-carbonitrile
CID 65074999
4-Amino-1-propylazepane-4-carbonitrile
CID 65075883
2-Methylazepane-4-carbonitrile
CID 67946630
3-Amino-1-propylazepane-3-carbonitrile
CID 69749050
2-(4-Amino-1-propan-2-ylazepan-4-yl)acetonitrile
CID 131375916
3-Amino-1-methylazepane-3-carbonitrile
CID 131563627
Ethane;1-methyl-4-(methylamino)azepane-4-carbonitrile
CID 142123409
3-(Tert-butylamino)-1-methylazepane-3-carbonitrile;methane
CID 160435151
4-(Tert-butylamino)-1-methylazepane-4-carbonitrile;methane
CID 160727287
3-Amino-1-tert-butylazepane-3-carbonitrile
CID 169848069

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile (CID 106803746) is 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile is CCCC1CCCN(CCCC(N)(C#N)CC)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile?
The InChIKey is XYLZKXJCLDDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-7-15-8-5-11-19(13-9-15)12-6-10-16(18,4-2)14-17/h15H,3-13,18H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile?
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile is sourced from PubChem (CID 106803746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).